SCHEMBL26700331

SCHEMBL26700331

CC(C)(C)c1cccc(-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 7/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TGFBR1 P36897 2/20 0.39
THRB P10828 1/20 0.39
SQOR Q9Y6N5 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL7814795 0.82 MEN1 (0.60) KDM4ERAB9AALDH1A1HSD17B10POLB
SCHEMBL2733408 0.81 CNR2 (0.40) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL31084593 0.80 CCR1 (0.46) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15290157 0.80 CCR1 (0.46) KDM4ERAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4348467 0.80 RAB9A (0.59) SCN9AKDM4ERAB9ANPC1ALDH1A1
SCHEMBL28345601 0.79 ACHE (0.54) SCN9AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL6344776 0.78 RAB9A (0.56) SCN9AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL16077971 0.78 CCR1 (0.44) KDM4ERAB9ASMN1; SMN2ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4381119 0.76 CCR1 (0.42) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL19625437 0.75 CYP1A2 (0.46) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1

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-20230348435-A1 1-((1H-PYRAZOL-4-YL)METHYL)-3-(PHENYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR THE TREATMENT OF E.G. DEPRESSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-11-02 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-20230348435-A1 1-((1H-PYRAZOL-4-YL)METHYL)-3-(PHENYL)-1,3-DIHYDRO-2H-IMIDAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS GPR139 ANTAGONISTS FOR THE TREATMENT OF E.G. DEPRESSION GPR139, GPR142, HTR2C SCN9A 647/4885KDM4E 1314/4885RAB9A 854/4885

“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.