SCHEMBL21391548

SCHEMBL21391548

Cc1sc(N/N=C/C2=CCCC=C2C(=O)O)nc1-c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.64
▸ MAOA P21397 15/20 0.56
▸ MAOB P27338 14/20 0.56
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ GAA P10253 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ GSTO1 P78417 1/20 0.48

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
SCHEMBL29859512 0.78 DHODH (1.00) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL28343270 0.78 DHODH (1.00) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL19631461 0.78 DHODH (1.00) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL25613763 0.75 DHODH (0.85) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL21391587 0.74 DHODH (0.50) DHODHMEN1KMT2AMAPTGAA
SCHEMBL25613721 0.73 DHODH (0.72) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL25614403 0.72 DHODH (0.70) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL4101065 0.69 MEN1 (1.00) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL4101069 0.69 MEN1 (1.00) DHODHMAOAMAOBMEN1KMT2A
SCHEMBL10810440 0.68 ALOX5 (0.76) DHODHMAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290620-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-09-26 — — 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-20190290620-A1 APPLICATIONS OF NOVEL THIAZOLE DERIVATIVE IN TREATING INFLAMMATORY BOWEL DISEASES FABP2, SLC10A2, ALPI DHODH 803/4885MAOA 4074/4885MAOB 3732/4885

“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.

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