SCHEMBL20766723

SCHEMBL20766723

O=[N+]([O-])c1ccc(I)cc1-n1nccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ TSHR P16473 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ CHRM1 P11229 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
SCHEMBL31716936 0.80 TSHR (0.55) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL4453426 0.75 KMT2A (0.44) ALDH1A1MAPTL3MBTL1LMNATDP1
SCHEMBL20766489 0.75 NOTUM (0.41) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL6840900 0.72 TSHR (0.56) ALDH1A1MAPTCYP1A2CYP2C19LMNA
SCHEMBL29562216 0.70 TSHR (0.43) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL1298366 0.70 TSHR (0.43) ALDH1A1MAPTLMNAPOLBTSHR
SCHEMBL17743399 0.70 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1POLBTSHR
SCHEMBL20766782 0.69 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL31316076 0.69 MAPT (0.50) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1
SCHEMBL27038634 0.69 MAPT (0.50) ALDH1A1MAPTCYP1A2CYP2C19L3MBTL1

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
CN-111542315-B Benzosulfonyl compounds 维瓦斯治疗公司 2023-05-12 — — CN disclosed
EP-3691623-B1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS INC (US) 2022-10-05 — — EP disclosed
US-11192865-B2 Benzosulfonyl compounds VIVACE THERAPEUTICS, INC. (US) 2021-12-07 — — US disclosed
US-20200354325-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. 2020-11-12 — — US disclosed
CN-111542315-A Benzosulfonyl compounds 维瓦斯治疗公司 2020-08-14 — — CN disclosed
EP-3691623-A1 BENZOSULFONYL COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-08-12 — — EP disclosed
WO-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 — — 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-11192865-B2 Benzosulfonyl compounds YAP1, TEAD2, TEAD1 ALDH1A1 2161/4885MAPT 2341/4885CYP1A2 3678/4885
US-20200354325-A1 BENZOSULFONYL COMPOUNDS YAP1, TEAD2, TEAD1 ALDH1A1 2161/4885MAPT 2341/4885CYP1A2 3678/4885

“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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