SCHEMBL913810

SCHEMBL913810

Clc1cccc(-c2cccnn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.47
▸ IDO1 P14902 3/20 0.47
▸ GRM5 P41594 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ KMO O15229 1/20 0.44
▸ AHR P35869 1/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ PIM1 P11309 1/20 0.43
▸ NPY5R Q15761 1/20 0.43
▸ PLK1 P53350 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL25609164 0.78 GRM5 (0.43) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31277575 0.78 GRM5 (0.43) GRM5NPC1TP53RAB9ASMN1; SMN2
SCHEMBL30661720 0.78 L3MBTL1 (0.49) NOTUMGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL218007 0.78 L3MBTL1 (0.49) NOTUMGRM5NPC1RAB9ASMN1; SMN2
SCHEMBL29470230 0.77 IDO1 (0.55) NOTUMIDO1GRM5NPC1TP53
SCHEMBL3464923 0.77 MEN1 (0.52) NPC1TSHRRAB9ACYP19A1MAPT
SCHEMBL14802112 0.77 BCHE (0.47) IDO1GRM5NPC1TSHRRAB9A
SCHEMBL27587153 0.77 GABRG2 (0.53) IDO1GRM5NPC1TP53TSHR
SCHEMBL27862933 0.77 GABRG2 (0.48) NOTUMIDO1GRM5KMOMAOB
SCHEMBL16780836 0.77 SLC6A2 (0.53) NOTUMNPC1TP53RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107177589-A Modified active high-area carbon for fixing thimet degradation bacteria and preparation method thereof 光合强化(北京)生物科技有限公司 2017-09-19 — — CN claimed
CN-110023304-A Calpain regulator and its therapeutical uses 布莱德治疗公司 2019-07-16 — — CN disclosed
CN-105992767-B WNT pathway modulators 新加坡科技研究局 2019-06-21 — — CN disclosed
CN-109790169-A With the Cyanopyrolidine derivatives as USP30 inhibitor activity 特殊治疗有限公司 2019-05-21 — — CN disclosed
CN-108200760-A BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS 英安塔制药有限公司 2018-06-22 — — CN disclosed
CN-107922319-A Urea derivative and its purposes 东丽株式会社 2018-04-17 — — CN disclosed
CN-105873928-B 5 hydroxyl 4 (trifluoromethyl) pyrazolo pyridine derivatives 第三共株式会社 2018-01-23 — — CN disclosed
CN-107177589-A Modified active high-area carbon for fixing thimet degradation bacteria and preparation method thereof 光合强化(北京)生物科技有限公司 2017-09-19 — — CN disclosed
CN-106074548-A Monohydrate of azaadamantane derivative 艾伯维巴哈马有限公司 2016-11-09 — — CN disclosed
CN-103554107-B AZAADAMANTANE DERIVATIVES AND METHODS OF USE 艾伯维巴哈马有限公司 2016-08-17 — — CN disclosed
CN-101189233-A Substituted diazabicycloalkane derivatives as ligands for the alpha 7 nicotinic acetylcholine receptor ABBOTT LAB (US) 2008-05-28 — — CN disclosed
WO-2008011176-A9 MYOSIN LIGHT CHAIN KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND RELATED METHODS OF USE UNIV NORTHWESTERN (US) 2008-03-06 — — WO disclosed
WO-2008011176-A2 MYOSIN LIGHT CHAIN KINASE INHIBITOR COMPOUNDS, COMPOSITIONS AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2008-01-24 — — WO disclosed
US-20080021035-A1 Myosin light chain kinase inhibitor compounds, compostions and related methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-01-24 — — US disclosed
CN-101087766-A Pyridazine compounds, compositions, and methods UNIV NORTHWESTERN (US) 2007-12-12 — — CN disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 — — US disclosed
CN-1930162-A Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-03-14 — — CN disclosed
CN-1675205-A Novel quinuclidine derivatives and their use NEUROSEARCH AS (DK) 2005-09-28 — — CN disclosed
CN-1628109-A Novel aryl-and heteroaryl-piperazines NOVO NORDISK AS (DK) 2005-06-15 — — CN disclosed
CN-1138458-A Treatment and prevention of prostatic cancer LILLY CO ELI (US) 1996-12-25 — — CN 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-20080021035-A1 Myosin light chain kinase inhibitor compounds, compostions and related methods of use MYLK, MYLK3, MYLK2 NOTUM 2564/4885IDO1 1695/4885GRM5 2197/4885
US-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 NOTUM 1280/4885IDO1 79/4885GRM5 749/4885

“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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