SCHEMBL18763534

SCHEMBL18763534

Nc1ccc(C#Cc2ccc(OCCCN3CCOCC3)c(Cl)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MCHR1 Q99705 1/20 0.45
MAPK1 P28482 2/20 0.45
HTR2B P41595 2/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.45

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
SCHEMBL18763420 0.91 TSHR (0.56) ALDH1A1TSHRNPC1HRH3HRH2
SCHEMBL18763480 0.87 HRH3 (0.46) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL18763454 0.86 AXL (0.53) ALDH1A1TSHRSMN1; SMN2HRH3HRH2
SCHEMBL18763518 0.86 KDM4E (0.57) ALDH1A1TSHRHRH3HRH2HRH1
SCHEMBL18763416 0.84 KDM4E (0.46) ALDH1A1TSHRHRH3HRH2HRH1
SCHEMBL18763519 0.83 HRH3 (0.65) ALDH1A1TSHRHRH3HRH2HRH1
SCHEMBL18763500 0.81 ALDH1A1 (0.54) ALDH1A1NPC1HRH3HRH2HRH1
SCHEMBL4270048 0.80 TSHR (0.63) ALDH1A1MAPTHTTTSHRMEN1
SCHEMBL18763404 0.79 AXL (0.45) ALDH1A1MAPTHTTTSHRMEN1
SCHEMBL18763481 0.79 HRH3 (0.47) ALDH1A1HRH3HRH2HRH1KDM4E

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-3169671-B1 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER SUNSHINE LAKE PHARMA CO LTD (CN) 2019-08-21 EP disclosed
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-09-04 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 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 (2 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-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 ALDH1A1 2900/4885MAPT 857/4885HTT 1413/4885
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof ULK2, ULK3, ULK1 ALDH1A1 2900/4885MAPT 857/4885HTT 1413/4885

“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.