SCHEMBL24517330

SCHEMBL24517330

CCc1ccc(-c2nc3ccccn3c2C#CS(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.46
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NR1I3 Q14994 3/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ NR1I2 O75469 1/20 0.38

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
SCHEMBL24517687 0.86 NPC1 (0.54) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL24517305 0.85 KDM4E (0.53) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL24517309 0.85 ALDH1A1 (0.53) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL22615012 0.84 PLAU (0.49) PLAUNPC1RAB9AKDM4EMAPT
SCHEMBL24517390 0.83 RAD51 (0.43) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL24517108 0.82 KDM4E (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL24517111 0.82 NPC1 (0.61) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL24517691 0.81 NTRK1 (0.46) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL24516940 0.81 ADORA1 (0.43) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL24517326 0.80 RAB9A (0.46) NPC1RAB9AKDM4EMAPTSMN1; SMN2

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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — 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-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 PLAU 3147/4885NPC1 366/4885RAB9A 4268/4885

“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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