SCHEMBL974438

SCHEMBL974438

Clc1nnc(-c2ccccc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
POLB P06746 2/20 0.52
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
NOTUM Q6P988 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45

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
SCHEMBL8707903 0.84 KDM4E (0.67) ALDH1A1POLBHTTMEN1LMNA
SCHEMBL9018567 0.83 ALDH1A1 (0.61) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL2213286 0.80 ALDH1A1 (0.59) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL3962310 0.80 KDM4E (0.59) ALDH1A1POLBHTTMEN1LMNA
SCHEMBL11088257 0.78 SMN1; SMN2 (0.60) ALDH1A1LMNAALOX12KMT2AKDM4E
SCHEMBL11091755 0.78 KDM4E (0.50) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL17948201 0.78 ALDH1A1 (0.57) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL174599 0.78 KDM4E (0.64) ALDH1A1HTTMEN1LMNAKMT2A
SCHEMBL11873113 0.77 ALDH1A1 (0.65) ALDH1A1POLBMEN1LMNAKMT2A
SCHEMBL3830634 0.77 RAB9A (0.46) ALDH1A1POLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109593088-B Azabicyclo derivatives, their preparation and use 华东理工大学 2022-03-25 CN disclosed
CN-106817899-B Spiroheptane as ROCK inhibitor 百时美施贵宝公司 2021-03-09 CN disclosed
CN-111233840-A Quinoxaline derivative and application thereof in organic light-emitting device 北京鼎材科技有限公司 2020-06-05 CN disclosed
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
EP-3252050-B1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-26 EP disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-20 US disclosed
EP-3169682-B1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-12-26 EP disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
EP-1506200-A2 NOVEL DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH A/S (DK) 2005-02-16 EP disclosed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 WO disclosed
WO-2003094831-A2 NOVEL DIAZABICYCLIC BIARYL DERIVATIVES NEUROSEARCH A/S (DK) 2003-11-20 WO disclosed
EP-0384250-A2 Sulfonylated azinyliminoheteroazole, process and intermediates for their preparation and their use as herbicides BAYER AG (DE) 1990-08-29 EP disclosed
EP-0384244-A1 Sulfonylimino-azinyl heteroazoles, method and intermediates for their preparation and their use as herbicides BAYER AG (DE) 1990-08-29 EP disclosed
US-4596802-A Nervous system disorders SANOFI (FR) 1986-06-24 US disclosed
EP-0060426-B1 N-(2,2,2-TRIFLUOROETHYL)-N-ALKYL-AZOLYLOXYACETIC-ACID AMIDES, THEIR PREPARATION AND USE AS HERBICIDES AND INTERMEDIATES FOR THEIR PREPARATION BAYER AG (DE) 1986-04-23 EP disclosed
US-4465504-A Herbicidally active novel N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic acid amides and intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1984-08-14 US disclosed
EP-0060426-A2 N-(2,2,2-trifluoroethyl)-N-alkyl-azolyloxyacetic-acid amides, their preparation and use as herbicides and intermediates for their preparation BAYER AG (DE) 1982-09-22 EP disclosed
US-3959301-A HERBICIDE GULF RESEARCH & DEVELOPMENT COMPANY (US) 1976-05-25 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 (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-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885POLB 3891/4885HTT 2375/4885
US-10385026-B2 Phthalazinones and isoquinolinones as rock inhibitors MYLK, MYLK2, ROCK1 ALDH1A1 2535/4885POLB 3891/4885HTT 2375/4885

“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.