SCHEMBL6417259

SCHEMBL6417259

Cc1cccc(N2CCN(C(=O)c3[nH]nc4ccccc34)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 1/20 0.48
P2RY12 Q9H244 1/20 0.48
LMNA P02545 4/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MGLL Q99685 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR6 P50406 1/20 0.45
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
TACR3 P29371 1/20 0.44
RECQL P46063 1/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL6418208 0.87 ALDH1A1 (0.60) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL6414178 0.87 ALDH1A1 (0.54) MAPTALDH1A1LMNAHTR6TP53
SCHEMBL19710644 0.75 ALDH1A1 (0.72) MAPTALDH1A1RAB9ALMNAHPGD
SCHEMBL12172775 0.72 ALDH1A1 (0.74) MAPTALDH1A1RAB9ALMNATSHR
SCHEMBL8230032 0.72 ALDH1A1 (0.61) MAPTALDH1A1RAB9ALMNAHPGD
SCHEMBL630715 0.72 ALDH1A1 (0.66) MAPTALDH1A1RAB9ALMNAHPGD
SCHEMBL10501035 0.70 ALDH1A1 (0.60) MAPTALDH1A1RAB9ALMNAHPGD
SCHEMBL6415443 0.70 TSHR (0.59) MAPTALDH1A1RAB9ALMNATSHR
SCHEMBL4464556 0.70 CNR1 (0.65) MAPTALDH1A1RAB9ALMNATSHR
SCHEMBL14758455 0.69 TSHR (0.78) MAPTALDH1A1RAB9ALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US claimed

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT MAPT 4098/4885ALDH1A1 360/4885RAB9A 2030/4885

“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.