SCHEMBL10448232

SCHEMBL10448232

CCSc1nnnn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 1.00
LMNA P02545 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
TSHR P16473 2/20 0.69
HPGD P15428 1/20 0.69
TP53 P04637 2/20 0.66
MAPT P10636 4/20 0.65
POLB P06746 2/20 0.65
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
TDP1 Q9NUW8 2/20 0.60
NPC1 O15118 1/20 0.60
NFKB1 P19838 1/20 0.60
RAB9A P51151 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
GAA P10253 1/20 0.60
PKM P14618 1/20 0.58
HSD17B10 Q99714 2/20 0.58

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
SCHEMBL16116944 0.84 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL10448699 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL16526226 0.83 ALDH1A1 (0.70) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL10970208 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL16472210 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL9137875 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL10973042 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL18026651 0.82 ALDH1A1 (0.69) ALDH1A1LMNASMN1; SMN2TSHRHPGD
SCHEMBL24019594 0.82 TP53 (0.72) ALDH1A1TSHRHPGDTP53MAPT
SCHEMBL17761121 0.82 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2TSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS THE SCRIPPS RESEARCH INSTITUTE (US) 2016-08-25 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 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 (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-20160244435-A1 EXPANDED THERAPEUTIC POTENTIAL IN NITROHETEROARYL ANTIMICROBIALS NQO1, TXN2, MPO ALDH1A1 1589/4885LMNA 2408/4885SMN1; SMN2 1033/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 ALDH1A1 786/4885LMNA 3915/4885SMN1; SMN2 4590/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885LMNA 790/4885SMN1; SMN2 2955/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885LMNA 790/4885SMN1; SMN2 2955/4885

“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.