SCHEMBL21980352

SCHEMBL21980352

Nc1ccc(-c2cc(-c3cccc(F)c3)on2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
RPS6KB1 P23443 1/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
PTGS2 P35354 3/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL18031150 0.85 HSD17B1 (0.75) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31341138 0.84 PTGS2 (0.66) CYP3A4CYP2D6CYP2C9CYP2C19HSD17B1
SCHEMBL6870273 0.82 NPC1 (0.79) TAAR1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26474820 0.81 CYP3A4 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21980380 0.81 RPS6KB1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1662253 0.79 HSD17B1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31660479 0.79 HSD17B1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16500508 0.79 RPS6KB1 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22038596 0.79 CXCR1 (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4328598 0.79 CYP1A2 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
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
CN-118265453-A Protein aggregation inhibiting compounds for plant disease control 马克斯·普朗克科学促进学会 2024-06-28 CN disclosed
EP-4384013-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2024-06-19 EP disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO 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-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
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 (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-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA TYR, MITF, VHL TAAR1 2656/4885CYP1A2 265/4885CYP3A4 1331/4885
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP TAAR1 3794/4885CYP1A2 4386/4885CYP3A4 4791/4885
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma TYR, MITF, VHL TAAR1 2656/4885CYP1A2 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.