SCHEMBL21957500

SCHEMBL21957500

O=C(CCl)N1CCCC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ BTK Q06187 1/20 0.53
▸ PHGDH O43175 2/20 0.52
▸ EPHX2 P34913 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MLNR O43193 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL21958172 0.97 KMT2A (0.56) KMT2ABTKPHGDHEPHX2RAB9A
SCHEMBL21957467 0.97 KMT2A (0.56) KMT2ABTKPHGDHEPHX2RAB9A
SCHEMBL21958165 0.97 KMT2A (0.56) KMT2ABTKPHGDHEPHX2RAB9A
SCHEMBL21958169 0.92 MLNR (0.56) KMT2ABTKPHGDHEPHX2MLNR
SCHEMBL21958180 0.88 MLNR (0.50) KMT2AEPHX2RAB9AMLNRGAA
SCHEMBL25785151 0.86 EPHX2 (0.61) KMT2ABTKPHGDHEPHX2RAB9A
SCHEMBL25785164 0.86 EPHX2 (0.61) KMT2ABTKPHGDHEPHX2RAB9A
SCHEMBL21958162 0.84 TEAD1 (0.61) KMT2ABTKPHGDHEPHX2RAB9A
SCHEMBL30027279 0.83 KMT2A (0.60) KMT2ABTKPHGDHEPHX2RAB9A
SCHEMBL21958173 0.82 KMT2A (0.62) KMT2ABTKPHGDHEPHX2RAB9A

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
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — US disclosed
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 — — US disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — 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 (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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 KMT2A 1804/4885BTK 4883/4885PHGDH 2958/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 KMT2A 2881/4885BTK 4874/4885PHGDH 2187/4885

“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.

Send feedback