SCHEMBL25790954

SCHEMBL25790954

COC(=O)c1ccc(Nc2ccc(C(C)(P)P)cc2)c(-c2nnn(C)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL25790940 0.90 ABCG2 (0.41) GAANPC1TP53RECQLRAB9A
SCHEMBL30062650 0.89 ABCG2 (0.48) GAAABCG2MAPTMAPK14MYC
SCHEMBL21055838 0.89 ABCG2 (0.48) GAAABCG2MAPTMAPK14MYC
SCHEMBL25791011 0.88 TP53 (0.41) NPC1TP53RECQLRAB9ASMN1; SMN2
SCHEMBL25791037 0.87 MAPK14 (0.39) NPC1TP53RECQLRAB9ASMN1; SMN2
SCHEMBL21090677 0.86 AKR1C3 (0.42) GAANPC1RAB9ASMN1; SMN2CASP3
SCHEMBL21054146 0.84 HPGD (0.41) GAANPC1TP53RAB9ASMN1; SMN2
SCHEMBL30061322 0.84 HPGD (0.41) GAANPC1TP53RAB9ASMN1; SMN2
SCHEMBL25791082 0.84 SCN9A (0.39) NPC1TP53RECQLRAB9ASMN1; SMN2
SCHEMBL25790947 0.84 AKR1C3 (0.39) NPC1RAB9ACASP3ABCG2KMT2A

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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 — — 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-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 GAA 3205/4885NPC1 2127/4885TP53 145/4885

“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