SCHEMBL22038596

SCHEMBL22038596

O=[N+]([O-])c1ccc(-c2cc(-c3cccc(F)c3)on2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RPS6KB1 P23443 1/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
PTGS2 P35354 3/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 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
SCHEMBL17084384 0.85 NPC1 (0.67) CXCR1CYP1A2CYP2C9CYP2C19HSD17B1
SCHEMBL28689579 0.85 NPC1 (0.67) CXCR1CYP1A2CYP2C9CYP2C19HSD17B1
SCHEMBL18031150 0.79 HSD17B1 (0.75) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21980352 0.79 TAAR1 (0.57) CXCR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12812871 0.78 TAAR1 (0.53) MAPTAR
SCHEMBL4618489 0.77 AKR1C3 (0.48) CXCR1PTGS2NPC1RAB9ACASP3
SCHEMBL4873060 0.77 CXCR1 (0.51) CXCR1PTGS2NPC1RAB9ACASP3
SCHEMBL26092290 0.76 CXCR1 (0.50) CXCR1PTGS2NPC1RAB9ACASP3
SCHEMBL21980380 0.76 RPS6KB1 (0.53) CXCR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26474820 0.76 CYP3A4 (0.60) CXCR1CYP1A2CYP3A4CYP2D6CYP2C9

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-3634403-B1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA MAX PLANCK GESELLSCHAFT (DE) 2025-06-25 EP disclosed
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-11-23 US disclosed
US-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-05-28 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 (2 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-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA TYR, MITF, VHL CXCR1 1490/4885CYP1A2 265/4885CYP3A4 1331/4885
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma TYR, MITF, VHL CXCR1 1490/4885CYP1A2 265/4885CYP3A4 1331/4885

“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.