SCHEMBL444401

SCHEMBL444401

Cc1cc(C(N)=O)ccc1I

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.53
LCK P06239 1/20 0.42
BRD4 O60885 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BRPF1 P55201 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PARP10 Q53GL7 2/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
TSHR P16473 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
PARP15 Q460N3 1/20 0.40

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
SCHEMBL29506358 0.83 MTOR (0.49) PARP1LCKBRD4KDM4EALDH1A1
SCHEMBL1233265 0.83 MTOR (0.49) PARP1LCKBRD4KDM4EALDH1A1
SCHEMBL498268 0.81 TSHR (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10CA1
SCHEMBL29503140 0.80 PRSS1 (0.61) PARP1LCKALDH1A1SMN1; SMN2PRSS1
SCHEMBL1002832 0.80 PRSS1 (0.61) PARP1LCKALDH1A1SMN1; SMN2PRSS1
SCHEMBL10249696 0.80 PARP1 (0.58) PARP1LCKBRD4KDM4EALDH1A1
SCHEMBL3561298 0.79 CES2 (0.37) PARP1ALDH1A1SMN1; SMN2HSD17B10TSHR
SCHEMBL9541786 0.78 PARP1 (0.52) PARP1LCKBRD4KDM4EALDH1A1
SCHEMBL2128609 0.78 PARP1 (0.52) PARP1LCKBRD4KDM4EALDH1A1
SCHEMBL15866552 0.78 SMN1; SMN2 (0.63) ALDH1A1SMN1; SMN2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
CN-115286605-B Method for synthesizing isochromanone compounds based on carbon monoxide gas or carbon monoxide alternative source 武汉大学 2024-04-09 CN disclosed
CN-113372184-B Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy 武汉大学 2023-08-18 CN disclosed
CN-115286605-A Method for synthesizing isochromanone compounds based on carbon monoxide gas or carbon monoxide substitute source 武汉大学 2022-11-04 CN disclosed
CN-113372184-A Method for synthesizing C-N axis chiral phenanthridinone compound based on chiral transfer strategy 武汉大学 2021-09-10 CN disclosed
EP-2417125-B1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-09-09 EP disclosed
US-8772280-B2 N-aryl-2-(2-arylaminopyrimidin-4-yl)pyrrol-4-carboxamide derivatives as MPS1 kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-08 US disclosed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR BIPAR SCIENCES, INC. (US) 2012-05-24 US disclosed
EP-2417125-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-15 EP disclosed
US-20120004260-A1 INHIBITION OF FATTY ACID SYNTHESIS BY IODO-NITROBENZAMIDE COMPOUNDS AND METHODS OF TREATMENT THEREOF BIPAR SCIENCES, INC. (US) 2012-01-05 US disclosed
US-7820144-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2010-10-26 US disclosed
WO-2010108921-A1 N-ARYL-2-(2-ARYLAMINOPYRIMIDIN-4-YL)PYRROL-4-CARBOXAMIDE DERIVATIVES AS MPS1 KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-30 WO disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2007-10-18 US disclosed
US-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CONNECTICUT, UNIVERSITY OF 2007-10-18 US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 US disclosed
US-7173027-B2 Receptor selective cannabimimetic aminoalkylindoles UNIVERSITY OF CONNECTICUT (US) 2007-02-06 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 (4 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-20070243134-A1 Receptor Selective Cannabimimetic Aminoalkylindoles CNR2, CNR1, GPR18 PARP1 2334/4885LCK 702/4885BRD4 257/4885
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 PARP1 3867/4885LCK 3399/4885BRD4 1645/4885
US-20120130144-A1 TREATMENT OF LUNG CANCER WITH A NITROBENZAMIDE COMPOUND IN COMBINATION WITH A GROWTH FACTOR INHIBITOR PARP2, PARP12, PARP15 PARP1 4/4885LCK 1231/4885BRD4 68/4885
US-20120004260-A1 INHIBITION OF FATTY ACID SYNTHESIS BY IODO-NITROBENZAMIDE COMPOUNDS AND METHODS OF TREATMENT THEREOF FASN, PARP12, PARP2 PARP1 15/4885LCK 1457/4885BRD4 394/4885

“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.