SCHEMBL20183490

SCHEMBL20183490

COc1ccc(NCc2ccc(-c3cccc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HIF1A Q16665 1/20 0.58
ERCC5 P28715 1/20 0.57
FEN1 P39748 1/20 0.57
FFAR1 O14842 3/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL20183707 0.89 PPARA (0.65) PPARASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL2309613 0.86 PPARA (0.86) PPARARAB9ANPC1HIF1AFFAR1
SCHEMBL20183499 0.86 EPHX2 (0.62) PPARAMEN1KMT2AHIF1AFFAR1
SCHEMBL3639698 0.84 SMN1; SMN2 (0.74) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL7820479 0.83 FFAR1 (0.69) PPARASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL17158376 0.81 HIF1A (0.64) RAB9AMEN1KMT2AHIF1AFFAR1
SCHEMBL20183500 0.80 KMT2A (0.57) PPARASMN1; SMN2RAB9ANPC1MEN1
SCHEMBL21370574 0.80 PPARA (1.00) PPARASMN1; SMN2RAB9ANPC1FFAR1
SCHEMBL28610158 0.79 ALDH1A1 (0.65) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL5943821 0.79 NPC1 (0.59) PPARARAB9ANPC1

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-3327001-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2022-04-13 EP disclosed
US-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-02 US disclosed
EP-3327001-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT Dongguk University Industry-Academic Cooperation Foundation (KR) 2018-05-30 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 (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-20180215706-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R PPARA 3442/4885SMN1; SMN2 3907/4885RAB9A 3198/4885

“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.