SCHEMBL12563147

SCHEMBL12563147

CC1CC(=O)C2=C(C1)Nc1ccccc1N=C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 5/20 0.61
POLB P06746 2/20 0.61
PKM P14618 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 2/20 0.60
TP53 P04637 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
LMNA P02545 1/20 0.40
BRD4 O60885 6/20 0.40
CREBBP Q92793 5/20 0.40
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
PPARG P37231 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL12563150 0.80 MEN1 (0.82) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12563195 0.77 SMN1; SMN2 (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4669644 0.76 MEN1 (0.97) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2876692 0.66 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6545369 0.66 MAPT (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16306321 0.63 MEN1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL309794 0.59 MAPT (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL25873873 0.59 MEN1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL21910776 0.59 PDK2 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL2324023 0.59 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
US-20110152251-A1 COMPOUNDS FOR MODULATING TLR2 UNIVERSITY OF MASSACHUSETTS (US) 2011-06-23 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-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP ALDH1A1 970/4885MEN1 4453/4885KMT2A 3498/4885
US-20110152251-A1 COMPOUNDS FOR MODULATING TLR2 TLR2, TLR3, NFKBIA ALDH1A1 4294/4885MEN1 4791/4885KMT2A 2989/4885

“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.