SCHEMBL641339

SCHEMBL641339

Nc1[c]nc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 7/20 0.47
HPGD P15428 5/20 0.47
GAA P10253 5/20 0.47
GLA P06280 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
PTBP1 P26599 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MAPT P10636 5/20 0.46
ACHE P22303 2/20 0.46
TLR8 Q9NR97 1/20 0.44
HTR3A P46098 1/20 0.44
HSD17B10 Q99714 3/20 0.41
NQO2 P16083 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 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
SCHEMBL4723728 0.75 NCF1 (0.44) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL628270 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL584784 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL269884 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL558535 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL558480 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL7060124 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL521935 0.74 NQO2 (0.46) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL252593 0.74 KDM4E (0.47) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL9637930 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944656-B2 Benzothiazole macrocycles as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-04-17 US claimed
EP-3105236-B1 BENZOTHIAZOLE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-10-18 EP claimed
US-20170008912-A1 BENZOTHIAZOLE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2017-01-12 US claimed
EP-3105236-A1 BENZOTHIAZOLE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-12-21 EP claimed
WO-2015123230-A1 BENZOTHIAZOLE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-20 WO claimed
US-20080081766-A1 IMAGE-FORMING METHOD USING HEAT-SENSITIVE TRANSFER SYSTEM FUJIFILM CORPORATION (JP) 2008-04-03 US claimed
EP-1885875-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2008-02-13 EP claimed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US claimed
WO-2006130551-A2 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS PROMEGA CORPORATION (US) 2006-12-07 WO claimed
EP-0216483-B2 Thermal transfer printing ZENECA LTD (GB) 1995-11-02 EP claimed
EP-0399673-B1 Thermal transfer printing ZENECA LTD (GB) 1994-09-07 EP claimed
US-5091360-A Using black dye mixture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-25 US claimed
EP-0399673-A1 Thermal transfer printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-28 EP claimed
EP-0216483-B1 THERMAL TRANSFER PRINTING ZENECA LIMITED (GB) 1990-04-11 EP claimed
EP-0216483-A1 Thermal transfer printing ZENECA LIMITED (GB) 1987-04-01 EP claimed
CN-118103059-A Self-assembled nanoparticles based on amphiphilic peptides 巴林萨斯生物疗法北美公司 2024-05-28 CN disclosed
CN-111527099-B Selective inhibitors of protein arginine methyltransferase 5 (PRMT 5) 普莱鲁德疗法有限公司 2024-03-22 CN disclosed
US-4764178-A Thermal transfer printing: hetero-aromatic azo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-16 US disclosed
US-4764178-A Thermal transfer printing: hetero-aromatic azo dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-16 US disclosed
EP-0216483-A1 Thermal transfer printing ZENECA LIMITED (GB) 1987-04-01 EP 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-20170008912-A1 BENZOTHIAZOLE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION MAVS, SARS1, RPL5 ALDH1A1 2881/4885KDM4E 1052/4885HPGD 1894/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ALDH1A1 1974/4885KDM4E 4682/4885HPGD 1093/4885

“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.