SCHEMBL2102802

SCHEMBL2102802

O=C(CCc1ccccc1)NCCCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
NAMPT P43490 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
TSHR P16473 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
F13A1 P00488 1/20 0.47
GAA P10253 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6808130 0.85 ACHE (0.40) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL17767809 0.85 SMN1; SMN2 (0.50) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL17168743 0.85 SMN1; SMN2 (0.50) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL17767812 0.85 SMN1; SMN2 (0.50) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL20999873 0.85 SMN1; SMN2 (0.50) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL26382038 0.85 SMN1; SMN2 (0.50) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL22043005 0.84 HDAC2 (0.45) HPGDLMNAKDM4EHDAC1HDAC2
SCHEMBL18943888 0.84 NAAA (0.50) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL21117960 0.84 SMN1; SMN2 (0.49) HPGDLMNAHDAC1HDAC2HDAC8
SCHEMBL2390661 0.83 HTT (0.56) LMNAHDAC1HDAC2HDAC8HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440988-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-09-13 US disclosed
US-9440988-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-09-13 US disclosed
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO BEACHY PHILIP A (US) 2012-05-31 US disclosed
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO BEACHY PHILIP A (US) 2012-05-31 US disclosed
US-8163719-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2012-04-24 US disclosed
US-8163719-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2012-04-24 US disclosed
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-10-27 US disclosed
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-10-27 US disclosed
US-7998946-B2 Veratrum-type alkaloid inhibits mitotic cell proliferation in hedgehog-mediated signal transduction with an ED50 of 1 mM or less; preparations administered systemically, locally, topically; cancer; non-malignant hyperproliferative disorders JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-08-16 US disclosed
US-7998946-B2 Veratrum-type alkaloid inhibits mitotic cell proliferation in hedgehog-mediated signal transduction with an ED50 of 1 mM or less; preparations administered systemically, locally, topically; cancer; non-malignant hyperproliferative disorders JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2011-08-16 US disclosed
US-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2008-10-16 US disclosed
US-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2008-10-16 US disclosed
US-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto THE JOHNS HOPKINS UNIVERSITY (US) 2008-10-16 US disclosed
EP-1728797-A2 Regulators of the hedgehog pathway, compositions and uses related thereto Johns Hopkins University School of Medicine (US) 2006-12-06 EP disclosed
US-7098196-B1 Regulators of the hedgehog pathway, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2006-08-29 US disclosed
US-20060128639-A1 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2006-06-15 US disclosed
EP-1235851-B1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO UNIV JOHNS HOPKINS MED (US) 2006-05-31 EP disclosed
EP-1235851-A2 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO Johns Hopkins University School of Medicine (US) 2002-09-04 EP disclosed
WO-2001027135-A9 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO UNIV JOHNS HOPKINS MED (US) 2002-08-15 WO disclosed
WO-2001027135-A2 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2001-04-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080255059-A1 Regulators of the hedgehog pathway, compositions and uses related thereto SHH, GLI1, SMO HPGD 3796/4885LMNA 3470/4885KDM4E 1013/4885
US-20120135066-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO HPGD 3796/4885LMNA 3470/4885KDM4E 1013/4885
US-20110263519-A1 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO SHH, GLI1, SMO HPGD 3796/4885LMNA 3470/4885KDM4E 1013/4885
US-20060128639-A1 Regulators of the hedgehog pathway, compositions and uses related thereto SHH, GLI1, SMO HPGD 3796/4885LMNA 3470/4885KDM4E 1013/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.