SCHEMBL331389

SCHEMBL331389

O=c1[nH]ncc2c([N+](=O)[O-])cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.66
ALDH1A1 P00352 5/20 0.57
TDP1 Q9NUW8 3/20 0.55
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPT P10636 2/20 0.53
TSHR P16473 2/20 0.53
CYP2C19 P33261 2/20 0.53
NOS2 P35228 2/20 0.53
BLM P54132 2/20 0.53
KMT2A Q03164 2/20 0.53
THRB P10828 1/20 0.53
HPGD P15428 1/20 0.53
APEX1 P27695 1/20 0.53
NOS3 P29474 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL31690218 1.00 NOS1 (0.66) NOS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL16131559 0.86 NOS1 (0.54) NOS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL166086 0.79 NOS1 (1.00) NOS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL30410422 0.79 NOS1 (1.00) NOS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL10594462 0.78 NOS1 (0.77) NOS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL4717435 0.75 NOS1 (0.64) NOS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL29475175 0.73 TDP1 (1.00) NOS1ALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL57166 0.73 TDP1 (1.00) NOS1ALDH1A1TDP1HSD17B10CYP3A4
SCHEMBL10594465 0.73 NOS1 (0.69) NOS1ALDH1A1TDP1HSD17B10KDM4E
SCHEMBL30098446 0.72 ALDH1A1 (1.00) NOS1ALDH1A1TDP1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4096143-A Process for producing phthalazinone and derivatives of the same FUJI PHOTO FILM CO., LTD. (JA) 1978-06-20 US claimed
CN-113227054-B ROCK kinase inhibitors 切尔韦洛治疗有限责任公司 2025-04-11 CN disclosed
EP-3877364-B1 ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2024-08-21 EP disclosed
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 US disclosed
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2024-02-27 US disclosed
US-20230295105-A1 PIPERIDINEDIONE DERIVATIVES INNOCURE THERAPEUTICS, INC. (KR) 2023-09-21 US disclosed
US-20230295105-A1 PIPERIDINEDIONE DERIVATIVES INNOCURE THERAPEUTICS, INC. (KR) 2023-09-21 US disclosed
EP-4116298-A1 PIPERIDINEDIONE DERIVATIVE Innocure Therapeutics, Inc. (KR) 2023-01-11 EP disclosed
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS Cervello Therapeutics LLC (US) 2022-04-21 US disclosed
US-11248004-B2 Substituted isoquinolines as rock kinase inhibitors CERVELLO THERAPEUTICS, LLC. (US) 2022-02-15 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
WO-2005035518-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
US-4237215-A DECOMPOSING N-HALO COMPOUND IN PRESENCE OF ORGANIC SILVER SALT TO PRODUCE SILVER HALIDE FUJI PHOTO FILM CO., LTD. (JP) 1980-12-02 US disclosed
US-4144072-A CONTAINING A PHTHALAZINONE AND A PHTHALIMIDE FUJI PHOTO FILM CO., LTD. (JP) 1979-03-13 US disclosed
US-4125403-A ORGANIC SILVER SALT, SILVER HALIDE, REDUCING AGENT, PHTHALAZINONE, AND A BENZOXAZINEDIONE OR QUINAZOLINEDIONE FUJI PHOTO FILM CO., LTD. 1978-11-14 US disclosed
US-4096143-A Process for producing phthalazinone and derivatives of the same FUJI PHOTO FILM CO., LTD. (JA) 1978-06-20 US disclosed
US-4076534-A Heat developable light-sensitive material FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 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 (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-11248004-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT NOS1 87/4885ALDH1A1 4101/4885TDP1 1228/4885
US-20230295105-A1 PIPERIDINEDIONE DERIVATIVES CRBN, CUL1, PSMB10 NOS1 3247/4885ALDH1A1 2741/4885TDP1 4149/4885
US-11912719-B2 Substituted isoquinolines as rock kinase inhibitors ROCK1, ROCK2, CIT NOS1 87/4885ALDH1A1 4101/4885TDP1 1228/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES NOS1 51/4885ALDH1A1 511/4885TDP1 2179/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 NOS1 403/4885ALDH1A1 233/4885TDP1 3643/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES NOS1 51/4885ALDH1A1 511/4885TDP1 2179/4885
US-20220119406-A1 SUBSTITUTED ISOQUINOLINES AS ROCK KINASE INHIBITORS ROCK1, ROCK2, CIT NOS1 87/4885ALDH1A1 4101/4885TDP1 1228/4885

“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.