SCHEMBL6493648

SCHEMBL6493648

O=C(c1cc[nH]c1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
TSHR P16473 4/20 0.58
LMNA P02545 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 2/20 0.58
MAPK1 P28482 1/20 0.58
NPC1 O15118 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 1/20 0.54
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

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
SCHEMBL5761570 0.86 USP2 (0.52) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1382383 0.85 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1382820 0.84 SMO (0.49) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6503140 0.82 MEN1 (0.45) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5761829 0.82 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6495850 0.81 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1381669 0.80 LMNA (0.49) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL12835479 0.80 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5788590 0.79 ALDH1A1 (0.67) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6495212 0.78 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMEN1KMT2A

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 ALDH1A1 240/4885TSHR 3838/4885LMNA 3596/4885

“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.