Sugi Predict

Sugi Predict / Compounds / SCHEMBL981675

SCHEMBL981675

SCHEMBL981675

O=[N+]([O-])c1ccc2[nH]cc(Br)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PKLR P30613 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ SLC6A4 P31645 1/20 0.47
▸ TUBB4A P04350 1/20 0.47
▸ TUBB P07437 1/20 0.47
▸ TUBA3C P0DPH7 1/20 0.47
▸ TUBA1B P68363 1/20 0.47
▸ TUBA4A P68366 1/20 0.47
▸ TUBB4B P68371 1/20 0.47
▸ TUBB3 Q13509 1/20 0.47
▸ TUBB2A Q13885 1/20 0.47
▸ TUBB8 Q3ZCM7 1/20 0.47
▸ TUBA3E Q6PEY2 1/20 0.47
▸ TUBA1A Q71U36 1/20 0.47
▸ TUBA1C Q9BQE3 1/20 0.47
▸ TUBB6 Q9BUF5 1/20 0.47
▸ TUBB2B Q9BVA1 1/20 0.47

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
SCHEMBL28057344 0.89 CTSV (0.54) NQO2PKMPKLRCA12CA9
SCHEMBL1629212 0.86 PKM (0.56) PKMPKLRCA12CA9PARP1
SCHEMBL31520782 0.86 PKM (0.56) PKMPKLRCA12CA9PARP1
Tert-Butyl Formate SCHEMBL27774694 0.85 TUBB4A (0.43) NQO2PKMPKLRSLC6A4TUBB4A
SCHEMBL29613198 0.80 ALDH1A1 (0.56) PKMPKLRCA12CA9CTSV
SCHEMBL8180313 0.80 ALDH1A1 (0.56) PKMPKLRCA12CA9CTSV
SCHEMBL15553635 0.79 TNFSF11 (0.53) NQO2PKMPKLRCA12CA9
SCHEMBL11731716 0.79 PKM (0.52) NQO2PKMPKLRCA12CA9
SCHEMBL2948808 0.79 CLK1 (0.55) NQO2PKMPKLRCA12CA9
SCHEMBL29929188 0.79 LMNA (0.55) NQO2PKMPKLRCA12CA9

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282735-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2025-09-11 — — US disclosed
EP-4514780-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR Dong-A ST Co., Ltd. (KR) 2025-03-05 — — EP disclosed
CN-118184567-B Process for preparing 3-haloindole derivatives 常州工程职业技术学院 2025-02-18 — — CN disclosed
CN-118184567-A Process for preparing 3-haloindole derivatives 常州工程职业技术学院 2024-06-14 — — CN disclosed
WO-2023209651-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR DONG-A ST CO., LTD. (KR) 2023-11-02 — — WO disclosed
CN-115852397-A Preparation method of halogenated indole compound 西南林业大学 2023-03-28 — — CN disclosed
EP-3717481-B1 INDOLE (SULFOMYL) N-HYDROXY BENZAMIDE DERIVATIVES AS SELECTIVE HDAC INHIBITORS COUNCIL SCIENT IND RES (IN) 2023-03-01 — — EP disclosed
US-11072583-B2 Indole (sulfomyl) n-hydroxy benzamide derivatives as selective HDAC inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-07-27 — — US disclosed
US-20200385349-A1 INDOLE (SULFOMYL) N-HYDROXY BENZAMIDE DERIVATIVES AS SELECTIVE HDAC INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-12-10 — — US disclosed
EP-3717481-A1 INDOLE (SULFOMYL) N-HYDROXY BENZAMIDE DERIVATIVES AS SELECTIVE HDAC INHIBITORS Council of Scientific & Industrial Research (IN) 2020-10-07 — — EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 — — WO disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 — — US disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 — — EP disclosed
US-20060223863-A1 Methods for treating Hepatitis C KARP GARY M 2006-10-05 — — US disclosed
US-20060189606-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2006-08-24 — — US disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 — — WO disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 — — US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 — — EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 — — 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 (7 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 NQO2 16/4885PKM 1894/4885PKLR 2112/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 NQO2 14/4885PKM 1608/4885PKLR 1542/4885
US-11072583-B2 Indole (sulfomyl) n-hydroxy benzamide derivatives as selective HDAC inhibitors HDAC1, HDAC3, HDAC2 NQO2 357/4885PKM 1485/4885PKLR 740/4885
US-20250282735-A1 BICYCLE COMPOUNDS AS TEAD INHIBITOR TEAD1, TEAD2, TEAD3 NQO2 81/4885PKM 1379/4885PKLR 3815/4885
US-20200385349-A1 INDOLE (SULFOMYL) N-HYDROXY BENZAMIDE DERIVATIVES AS SELECTIVE HDAC INHIBITORS HDAC1, HDAC3, HDAC2 NQO2 357/4885PKM 1485/4885PKLR 740/4885
US-20060189606-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NQO2 3643/4885PKM 3543/4885PKLR 3566/4885
US-20060223863-A1 Methods for treating Hepatitis C OAT, HAVCR2, HCCS NQO2 139/4885PKM 3402/4885PKLR 3731/4885

“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.