SCHEMBL20552652

SCHEMBL20552652

OCCn1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.45
▸ YAP1 P46937 1/20 0.45
▸ TEAD4 Q15561 1/20 0.45
▸ TEAD2 Q15562 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KCNK18 Q7Z418 1/20 0.43
▸ ADORA2A P29274 1/20 0.42
▸ IDH2 P48735 1/20 0.41

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
SCHEMBL20552892 0.94 ALDH1A1 (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552594 0.91 TAS2R14 (0.55) ALDH1A1MAPTSMN1; SMN2TAS2R14
SCHEMBL21749307 0.89 MAPT (0.49) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552643 0.88 ABCG2 (0.47) ALDH1A1MAPTSMN1; SMN2TAS2R14LMNA
SCHEMBL21764708 0.87 ALDH1A1 (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20551925 0.87 ATM (0.41) ALDH1A1MAPTLMNA
SCHEMBL20552275 0.86 YAP1 (0.47) ALDH1A1MAPTSMN1; SMN2YAP1TEAD4
SCHEMBL21749242 0.86 TP53 (0.44) ALDH1A1GAAMAPTRAB9ASMN1; SMN2
SCHEMBL20552390 0.85 P2RX3 (0.42) ALDH1A1GAAMAPTSMN1; SMN2LMNA
SCHEMBL20552537 0.84 MAOB (0.49) ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2C19

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 8 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-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
US-11186554-B2 Non-fused tricyclic compounds VIVACE THERAPEUTICS, INC. (US) 2021-11-30 — — US disclosed
CN-111132673-A Non-fused tricyclic compounds 维瓦斯治疗公司 2020-05-08 — — CN disclosed
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 — — EP disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US disclosed
US-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-02-27 — — US disclosed
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 — — 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 (3 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-20200062721-A1 NON-FUSED TRICYCLIC COMPOUNDS YAP1, MYC, TEAD2 ALDH1A1 3497/4885GAA 3437/4885MAPT 1705/4885
US-11186554-B2 Non-fused tricyclic compounds YAP1, MYC, TEAD2 ALDH1A1 3497/4885GAA 3437/4885MAPT 1705/4885
US-20230192607-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 ALDH1A1 3323/4885GAA 3205/4885MAPT 516/4885

“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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