SCHEMBL5149569

SCHEMBL5149569

Nc1ccc(Oc2ccc(NC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.56
F13A1 P00488 1/20 0.56
MAPT P10636 4/20 0.55
RAB9A P51151 2/20 0.55
TDP1 Q9NUW8 4/20 0.54
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 2/20 0.54
TSHR P16473 1/20 0.54
PARP10 Q53GL7 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.53
CASP6 P55212 1/20 0.53
GFER P55789 1/20 0.53
MAOA P21397 1/20 0.52
HPGD P15428 3/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL9813659 0.90 ALDH1A1 (0.60) TGM2MAPTRAB9AALDH1A1CYP3A4
SCHEMBL3038302 0.88 MAPT (0.70) MAPTRAB9ATDP1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL23629626 0.86 MAPT (0.67) MAPTRAB9ATDP1ALDH1A1CYP3A4
SCHEMBL4653369 0.84 HPGD (0.70) TGM2RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL5153495 0.83 ALDH1A1 (0.58) TGM2F13A1MAPTRAB9AALDH1A1
SCHEMBL3547563 0.83 PKM (0.62) TGM2F13A1MAPTRAB9ATDP1
SCHEMBL11415508 0.82 MAPT (0.61) MAPTRAB9ATDP1ALDH1A1CYP3A4
SCHEMBL22192221 0.81 POLB (0.79) TGM2F13A1MAPTRAB9ATDP1
SCHEMBL22694283 0.81 POLB (0.79) TGM2F13A1MAPTRAB9ATDP1
SCHEMBL22444366 0.81 POLB (0.79) TGM2F13A1MAPTRAB9ATDP1

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-10617706-B2 Compounds for cancer chemotherapeutic sensitization REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-04-14 US disclosed
US-20190240244-A1 COMPOUNDS FOR CANCER CHEMOTHERAPEUTIC SENSITIZATION REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-08-08 US disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
EP-0000815-B1 PROCESS FOR PREPARING N-ARYL OR N-ARALKYL SUBSTITUTED URETHANES MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-01-27 EP 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-10617706-B2 Compounds for cancer chemotherapeutic sensitization ABCC1, MCL1, ABCC3 TGM2 3341/4885F13A1 3956/4885MAPT 4452/4885
US-20190240244-A1 COMPOUNDS FOR CANCER CHEMOTHERAPEUTIC SENSITIZATION ABCC1, MCL1, ABCC3 TGM2 3341/4885F13A1 3956/4885MAPT 4452/4885

“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.