SCHEMBL7086450

SCHEMBL7086450

CC(=O)c1ccc(N2CCN(c3ncc(C(C)C)s3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MLYCD O95822 2/20 0.47
MAPT P10636 10/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 6/20 0.46
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
PANK3 Q9H999 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6285286 0.80 MAPT (0.59) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6286671 0.76 TDP1 (0.41) RAB9AMLYCDMAPTALDH1A1KMT2A
SCHEMBL17669252 0.75 MAPT (0.71) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15801114 0.75 MAPT (0.71) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17483654 0.74 ALDH1A1 (0.46) RAB9AMAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL12986356 0.73 PRKDC (0.48) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL15341960 0.73 HRH3 (0.44) MAPTALDH1A1KDM4E
SCHEMBL18878402 0.73 ALDH1A1 (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL14417582 0.71 MAPT (0.64) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7956272 0.70 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2003-10-02 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-20030187040-A1 2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents UCK2, ULK3, CDK2 NPC1 2685/4885RAB9A 2674/4885MLYCD 2725/4885

“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.