SCHEMBL7104503

SCHEMBL7104503

[CH2]CCc1cnc(-c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 2/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 1/20 0.50
QPCT Q16769 1/20 0.48
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
HPGDS O60760 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
PDPK1 O15530 1/20 0.37

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
SCHEMBL2095827 0.85 CYP11B1 (0.54) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL27992982 0.84 CYP11B1 (0.50) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL2226543 0.84 HDAC1 (0.52) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL12844399 0.84 CYP11B1 (0.54) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL2821115 0.81 HDAC1 (0.56) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL8570310 0.81 HDAC1 (0.56) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL7037388 0.80 HDAC1 (0.49) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL1567261 0.80 HDAC1 (0.59) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL8971551 0.80 HDAC1 (0.55) CYP11B1CYP11B2HDAC1HDAC2QPCT
SCHEMBL8911377 0.80 HDAC1 (0.55) CYP11B1CYP11B2HDAC1HDAC2QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP claimed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US claimed
US-20020077302-A1 Tricyclic erythromycin derivatives PFIZER PRODUCTS INC. 2002-06-20 US claimed
US-20020061856-A1 Novel tricyclic erythromycin derivatives PFIZER INC. 2002-05-23 US claimed
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin WU YONG-JIN (US) 2001-08-23 US claimed
US-6262030-B1 Erythromycin derivatives PFIZER INC. 2001-07-17 US claimed
US-6248719-B1 Tricyclic 3-keto derivatives of 6-O-methylerthromycin PFIZER INC 2001-06-19 US claimed
WO-1999062920-A1 TRICYCLIC 3-KETO DERIVATIVES OF 6-O-METHYLERYTHROMYCIN PFIZER PRODUCTS INC. (US) 1999-12-09 WO claimed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 EP claimed
EP-0952157-B1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin PFIZER PROD INC (US) 2003-06-18 EP disclosed
US-6482801-B2 THERAPY FOR BACTERIAL OR PROTOZOA INFECTIONS PFIZER INC. 2002-11-19 US disclosed
US-20020077302-A1 Tricyclic erythromycin derivatives PFIZER PRODUCTS INC. 2002-06-20 US disclosed
US-20020061857-A1 9-amino-3-oxo erythromycin derivatives PFIZER INC. 2002-05-23 US disclosed
US-20020061856-A1 Novel tricyclic erythromycin derivatives PFIZER INC. 2002-05-23 US disclosed
US-6262030-B1 Erythromycin derivatives PFIZER INC. 2001-07-17 US disclosed
US-6248719-B1 Tricyclic 3-keto derivatives of 6-O-methylerthromycin PFIZER INC 2001-06-19 US disclosed
US-6162794-A Erythromycin derivatives PFIZER INC. (US) 2000-12-19 US disclosed
WO-1999062920-A1 TRICYCLIC 3-KETO DERIVATIVES OF 6-O-METHYLERYTHROMYCIN PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed
EP-0952157-A1 9A, 11B-Dehydro derivatives of 9-oxime-3-keto-6-0-methylerythromycin Pfizer Products Inc. (US) 1999-10-27 EP disclosed
WO-1998051696-A1 ERYTHROMYCIN DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-11-19 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-20020077302-A1 Tricyclic erythromycin derivatives MRPL21, CYP7A1, CYP3A7 CYP11B1 127/4885CYP11B2 217/4885HDAC1 693/4885
US-20020061856-A1 Novel tricyclic erythromycin derivatives MRPL21, CYP7A1, CYP3A7 CYP11B1 97/4885CYP11B2 162/4885HDAC1 507/4885
US-20020061857-A1 9-amino-3-oxo erythromycin derivatives MRPL21, MRPL9, Q6ZSR9 CYP11B1 230/4885CYP11B2 431/4885HDAC1 3060/4885
US-20010016574-A1 9a,11b-dehydro derivatives of 9-oxime-3-keto-6-O- methylerythromycin CYP7A1, HSD17B7, CYP51A1 CYP11B1 12/4885CYP11B2 23/4885HDAC1 2127/4885

“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.