SCHEMBL7621265

SCHEMBL7621265

COc1cc2c(cc1OC)C(c1ccccc1)CN(C(=S)n1ccnc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ ADAM17 P78536 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ DPP4 P27487 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ MAPK1 P28482 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
SCHEMBL7626298 0.89 CYP3A4 (0.56) CYP3A4CYP2D6ADAM17TRPV1HTT
SCHEMBL7626328 0.79 CYP2D6 (0.44) CYP3A4CYP2D6ADAM17TRPV1MAPT
SCHEMBL7624331 0.76 SLC6A2 (0.51) CYP3A4CYP2D6ADAM17MAPTALDH1A1
SCHEMBL7625264 0.74 DRD1 (0.54) CYP3A4CYP2D6MAPTLMNAMAPK1
Trepipam SCHEMBL29374758 0.73 CYP2D6 (1.00) CYP3A4CYP2D6MAPTMAPK1THPO
Trepipam SCHEMBL11704977 0.73 CYP2D6 (1.00) CYP3A4CYP2D6MAPTMAPK1THPO
SCHEMBL11717530 0.72 CYP2D6 (0.71) CYP3A4CYP2D6TRPV1HTTMAPT
SCHEMBL7626253 0.71 ALDH1A1 (0.53) HTTMAPTALDH1A1LMNANPSR1
SCHEMBL11712657 0.71 CYP3A4 (0.72) CYP3A4CYP2D6TRPV1HTTDPP4
SCHEMBL7621097 0.71 CYP3A4 (0.58) CYP3A4CYP2D6ADAM17TRPV1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same CHACONNE NSI CO., LTD. (KR) 2002-02-14 — — US claimed
WO-2001095856-A2 UREA DERIVATIVE USEFUL AS AN ANTI-CANCER AGENT AND PROCESS FOR PREPARING SAME CHACONNE NSI CO., LTD. (KR) 2001-12-20 — — WO claimed
US-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same CHACONNE NSI CO., LTD. (KR) 2002-02-14 — — US disclosed
WO-2001095856-A2 UREA DERIVATIVE USEFUL AS AN ANTI-CANCER AGENT AND PROCESS FOR PREPARING SAME CHACONNE NSI CO., LTD. (KR) 2001-12-20 — — 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-20020019389-A1 Urea derivative useful as an anti-cancer agent and process for preparing same UTS2R, SLC14A1, URB2 CYP3A4 1639/4885CYP2D6 1945/4885ADAM17 4595/4885

“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.

Send feedback