SCHEMBL5123750

SCHEMBL5123750

Nc1cccc(-c2cc3cccc(C(=O)O)c3o2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAOA P21397 3/20 0.44
MAOB P27338 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
DHODH Q02127 1/20 0.43
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8155546 0.86 MAOA (0.58) NPC1RAB9AMAOAMAOBERAP1
SCHEMBL5124787 0.80 GPR35 (0.56) MAOBKDM4EALDH1A1MAPTMEN1
SCHEMBL10552149 0.78 ERAP1 (0.66) NPC1RAB9AERAP1CYSLTR1
SCHEMBL10546844 0.78 ERAP1 (0.53) MCL1NPC1RAB9AMAOAMAOB
SCHEMBL5123749 0.78 NPC1 (0.51) NPC1RAB9AMAOAMAOBKDM4E
SCHEMBL25649143 0.78 NPC1 (0.59) NPC1RAB9AMAOAMAOBERAP1
SCHEMBL5834396 0.76 DHODH (0.70) MCL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL10551657 0.75 NTRK1 (0.57) NPC1RAB9AERAP1KDM4EALDH1A1
SCHEMBL10549952 0.75 L3MBTL1 (0.52) NPC1RAB9AMAOAMAOBERAP1
SCHEMBL10547237 0.74 MAOA (0.56) NPC1MAOAMAOBERAP1MEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 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 (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-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C MCL1 164/4885NPC1 2815/4885RAB9A 2226/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 MCL1 923/4885NPC1 602/4885RAB9A 1260/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A MCL1 200/4885NPC1 2399/4885RAB9A 1986/4885

“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.