SCHEMBL9305593

SCHEMBL9305593

COC(=O)c1ccc(N)c(C(=O)O)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
GAA P10253 7/20 0.49
KDM4E B2RXH2 6/20 0.49
MAPT P10636 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 3/20 0.49
CFTR P13569 2/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ABL1 P00519 1/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
PTGER4 P35408 1/20 0.43
GRM6 O15303 1/20 0.41
GRM5 P41594 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL30055825 0.86 ALDH1A1 (0.49) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL27449738 0.83 KDM4E (0.47) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL28067904 0.82 CA12 (0.42) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL136404 0.82 ALDH1A1 (0.55) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL8953058 0.81 KDM4E (0.50) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL14059057 0.81 CA12 (0.50) GAAKDM4EMAPTHSD17B10ABL1
SCHEMBL2426826 0.80 PTGER4 (0.54) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL27464602 0.80 CA12 (0.43) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL19307715 0.79 NPC1 (0.41) ALDH1A1GAAKDM4EMAPTHSD17B10
SCHEMBL27092907 0.79 ALDH1A1 (0.45) ALDH1A1GAAKDM4EMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10780084-B2 Antibody-recruiting molecules for the treatment of cancer YALE UNIVERSITY (US) 2020-09-22 US disclosed
US-20190192497-A1 ANTIBODY-RECRUITING MOLECULES FOR THE TREATMENT OF CANCER KLEO PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-5340808-A Fused pyridazinoquinazolone derivatives as neurotrophic agents WARNER LAMBERT COMPANY (US) 1994-08-23 US disclosed
WO-1994011373-A1 PYRIDAZINOQUINAZOLONE DERIVATIVES AS NEUROTROPHIC AGENTS WARNER-LAMBERT COMPANY (US) 1994-05-26 WO disclosed
US-4251531-A ANTIALLERGENS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-02-17 US disclosed
US-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 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-20190192497-A1 ANTIBODY-RECRUITING MOLECULES FOR THE TREATMENT OF CANCER PLAUR, C3AR1, C5AR1 ALDH1A1 3673/4885GAA 2069/4885KDM4E 3571/4885
US-10780084-B2 Antibody-recruiting molecules for the treatment of cancer PLAUR, C3AR1, C5AR1 ALDH1A1 3673/4885GAA 2069/4885KDM4E 3571/4885

“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.