SCHEMBL1402894

SCHEMBL1402894

NNCc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 3/20 0.58
IDO1 P14902 1/20 0.54
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
NR1H4 Q96RI1 4/20 0.51
EPHX2 P34913 3/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SELL P14151 1/20 0.47
SELP P16109 1/20 0.47
SELE P16581 1/20 0.47
MEN1 O00255 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47

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
Benzylhydrazine SCHEMBL27602656 0.88 IDO1 (0.68) KMT2AALDH1A1IDO1TP53TSHR
SCHEMBL10561443 0.83 MPO (0.59) KMT2AALDH1A1IDO1CYP3A4MAPT
SCHEMBL31577583 0.83 PLA2G10 (0.53) KMT2AALDH1A1IDO1TSHRCYP3A4
SCHEMBL3503996 0.82 ALDH1A1 (0.81) KMT2AALDH1A1TP53TSHRNR1H4
Hydrochloric Acid SCHEMBL15392980 0.80 ALDH1A1 (0.78) KMT2AALDH1A1TP53TSHRNR1H4
SCHEMBL2224729 0.80 KMT2A (0.62) KMT2AALDH1A1IDO1TP53TSHR
SCHEMBL8138199 0.79 KMT2A (0.67) KMT2AALDH1A1NR1H4EPHX2SELL
SCHEMBL5452418 0.79 ALDH1A1 (0.57) KMT2AALDH1A1IDO1TP53TSHR
SCHEMBL24754463 0.78 KMT2A (0.60) KMT2AALDH1A1TP53TSHRNR1H4
SCHEMBL249385 0.78 KMT2A (0.66) KMT2AALDH1A1TP53TSHRCYP3A4

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
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed
US-7169939-B2 Energy transfer dyes with enhanced fluorescence APPLERA CORPORATION (US) 2007-01-30 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 (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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 KMT2A 1478/4885ALDH1A1 4195/4885IDO1 487/4885

“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.