SCHEMBL5764010

SCHEMBL5764010

O=C(c1cncn1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.59
FNTB P49356 1/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA9 Q16790 1/20 0.52
TSHR P16473 3/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL6493544 0.84 FNTA (0.58) FNTAFNTBTSHRMAPTLMNA
SCHEMBL6263437 0.83 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHTR1AHTR2A
SCHEMBL6494948 0.82 FNTA (0.45) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL6503020 0.81 GPBAR1 (0.58) ALDH1A1KMT2AHTTMAPTLMNA
Hydrochloric Acid SCHEMBL6501843 0.81 GPBAR1 (0.57) ALDH1A1KMT2AHTTMAPTLMNA
SCHEMBL6261049 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHTR1AHTR2A
SCHEMBL1382102 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTR1AHTR2A
SCHEMBL6266820 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHTR1AHTR2A
SCHEMBL29495713 0.75 LMNA (0.65) ALDH1A1MEN1KMT2ATSHRHTT
SCHEMBL6259088 0.75 LMNA (0.65) ALDH1A1MEN1KMT2ATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 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 (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 FNTA 1250/4885FNTB 1136/4885ALDH1A1 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.