SCHEMBL5962892

SCHEMBL5962892

CC(C)(C)Sc1nnnn1-c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
PKM P14618 3/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 1/20 0.43
DHODH Q02127 1/20 0.43
ATM Q13315 1/20 0.43
NTRK1 P04629 1/20 0.42
NTRK2 Q16620 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL10447833 0.83 ALDH1A1 (0.61) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8438530 0.81 SMN1; SMN2 (0.67) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3179779 0.77 KMT2A (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10448699 0.77 ALDH1A1 (0.71) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL22792082 0.75 ALDH1A1 (0.51) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10725427 0.73 ALDH1A1 (0.56) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL1186097 0.72 LMNA (0.58) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL14192707 0.71 ALDH1A1 (0.50) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10730796 0.71 MAPT (0.56) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12161311 0.70 KMT2A (0.45) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US 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 (2 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-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 KMT2A 59/4885MEN1 2788/4885MAPT 3313/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 KMT2A 152/4885MEN1 2599/4885MAPT 4489/4885

“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.