SCHEMBL12857443

SCHEMBL12857443

CC1=NN(C(=O)c2ccccc2O)C(=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 1.00
▸ PTGS2 P35354 2/20 1.00
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ TERT O14746 2/20 0.42
▸ THRB P10828 2/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL4661622 0.70 MAPT (0.60) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL12857527 0.69 CES2 (0.53) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL13345879 0.69 TERT (0.60) PTGS1PTGS2MEN1KMT2ATERT
SCHEMBL12857341 0.67 KAT8 (0.51) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL12857585 0.67 PTGS1 (0.50) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL31347868 0.65 MEN1 (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL11718417 0.65 MEN1 (0.61) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL19237128 0.64 GAA (0.48) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL10431336 0.63 HPGD (0.54) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1008405 0.63 MAPT (0.65) ALDH1A1MEN1KMT2AKDM4EMAPT

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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 — — US disclosed
US-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-02-10 — — US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 — — US disclosed
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function UNIVERSITY OF SOUTHERN CALIFORNIA 2010-05-13 — — US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 — — US disclosed
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-09 — — 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 (3 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-20110034472-A1 Novel Compounds for Treatment of Cancer and Disorders Associated With Angiogenesis Function VEGFA, TEK, MCL1 PTGS1 633/4885PTGS2 980/4885ALDH1A1 1558/4885
US-20090093489-A1 NOVEL COMPOUNDS FOR TREATMENT OF CANCER AND DISORDERS ASSOCIATED WITH ANGIOGENESIS FUNCTION VEGFA, TEK, MCL1 PTGS1 633/4885PTGS2 980/4885ALDH1A1 1558/4885
US-20100120781-A1 Novel Compounds for Treatment of Cancer and Disorders Associated with Angiogenesis Function VEGFA, TEK, MCL1 PTGS1 633/4885PTGS2 980/4885ALDH1A1 1558/4885

“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.

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