SCHEMBL10191613

SCHEMBL10191613

O=C(O)c1ccc(C(=O)O)c(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ RAB9A P51151 3/20 0.56
▸ LMNA P02545 1/20 0.56
▸ KMT2A Q03164 9/20 0.55
▸ MEN1 O00255 8/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ HPSE Q9Y251 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CASP3 P42574 2/20 0.50

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
SCHEMBL10191612 0.94 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2RAB9ALMNA
SCHEMBL10616433 0.94 ALDH1A1 (0.68) ALDH1A1HPGDCYP1A2RAB9ALMNA
SCHEMBL14426507 0.91 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2RAB9ALMNA
SCHEMBL8770858 0.86 FFAR1 (0.58) ALDH1A1HPGDCYP1A2RAB9ALMNA
SCHEMBL12189649 0.84 ALDH1A1 (0.85) ALDH1A1HPGDCYP1A2RAB9ALMNA
SCHEMBL16426276 0.84 TMPRSS4 (0.64) ALDH1A1CYP1A2RAB9AKMT2AMEN1
SCHEMBL8900345 0.82 KMT2A (0.59) ALDH1A1HPGDCYP1A2RAB9ALMNA
SCHEMBL29233050 0.82 KMT2A (0.59) ALDH1A1HPGDCYP1A2RAB9ALMNA
SCHEMBL2058694 0.80 ALDH1A1 (0.79) ALDH1A1CYP1A2KMT2AMEN1KDM4E
SCHEMBL12189620 0.80 MEN1 (0.63) ALDH1A1RAB9AKMT2AMEN1NPC1

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
WO-2021161838-A1 DIARYLAMINE COMPOUND, SURFACE-TREATED FILLER, AND POLYMER COMPOSITION 日本ゼオン株式会社 2021-08-19 — — WO disclosed
US-8883888-B2 Diarylamine compounds, aging inhibitor, polymer composition, crosslinked rubber product and molded article of the crosslinked product, and method of producing diarylamine compound ZEON CORPORATION (JP) 2014-11-11 — — US disclosed
US-20120101196-A1 NOVEL DIARYLAMINE COMPOUNDS, AGING INHIBITOR, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE OF THE CROSSLINKED PRODUCT, AND METHOD OF PRODUCING DIARYLAMINE COMPOUND ZEON CORPORATION (JP) 2012-04-26 — — 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 (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-20120101196-A1 NOVEL DIARYLAMINE COMPOUNDS, AGING INHIBITOR, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE OF THE CROSSLINKED PRODUCT, AND METHOD OF PRODUCING DIARYLAMINE COMPOUND CDKN1A, DDAH1, CCNI ALDH1A1 849/4885HPGD 305/4885CYP1A2 585/4885

“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.

Send feedback