SCHEMBL6503140

SCHEMBL6503140

O=CNc1cccc(N2CCN(C(=O)c3cc[nH]c3-c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 5/20 0.45
USP2 O75604 3/20 0.45
TSHR P16473 2/20 0.45
TACR3 P29371 1/20 0.43
HTT P42858 5/20 0.43
MAPK1 P28482 4/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
HCRTR1 O43613 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 4/20 0.43
GFER P55789 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SLC6A7 Q99884 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6493648 0.82 ALDH1A1 (0.66) MEN1KMT2AALDH1A1TSHRHTT
SCHEMBL5790106 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL1382820 0.81 SMO (0.49) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL6495297 0.81 KDM4E (0.48) MEN1KMT2AUSP2TSHRTACR3
SCHEMBL5761570 0.81 USP2 (0.52) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL1382383 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL20563461 0.78 HTT (0.52) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL6411953 0.76 SCD (0.41) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL1381669 0.75 LMNA (0.49) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL2656268 0.75 MAPT (0.50) MEN1KMT2AUSP2HTTMAPK1

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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 (1 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC MEN1 1456/4885KMT2A 658/4885ALDH1A1 240/4885

“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.