SCHEMBL25958932

SCHEMBL25958932

COc1cc(Cl)cc(F)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
TUBB1 Q9H4B7 2/20 0.37
MAP3K14 Q99558 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL13256218 0.84 ERN1 (0.45) ERN1MAP3K14TRPV4MAPTKDM4E
SCHEMBL10144167 0.78 TSHR (0.41) SMN1; SMN2KMT2AHTTRAB9ALMNA
SCHEMBL25974459 0.77 PLAU (0.46) HPGDSMN1; SMN2MAPTKMT2AS1PR4
SCHEMBL11425977 0.77 MAP3K14 (0.46) ERN1TUBB1MAP3K14TRPV4SMN1; SMN2
SCHEMBL10118361 0.77 MAPT (0.42) ERN1MAP3K14TRPV4HPGDSMN1; SMN2
SCHEMBL13086666 0.77 TUBB1 (0.39) TUBB1SMN1; SMN2KMT2AMAPK1HTT
SCHEMBL17864550 0.77 ACHE (0.52) ERN1TUBB1SMN1; SMN2MAPTKDM4E
SCHEMBL25204018 0.77 ERN1 (0.38) ERN1MAP3K14TRPV4THRBMAPT
SCHEMBL26133453 0.77 ERN1 (0.38) ERN1MAP3K14TRPV4THRBMAPT
SCHEMBL30412043 0.77 ERN1 (0.38) ERN1MAP3K14TRPV4THRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023150374-A1 INDUCERS OF KLF2 AND METHODS OF USE THEREOF RIPARIAN PHARMACEUTICALS, INC. (US) 2023-08-10 WO 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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ERN1 4124/4885TUBB1 1628/4885MAP3K14 2977/4885

“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.