SCHEMBL842218

SCHEMBL842218

Cc1cccc(C(=O)NCCCN(C)C)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.53
FYN P06241 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.52
TMEM97 Q5BJF2 3/20 0.52
SIGMAR1 Q99720 3/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52

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
SCHEMBL14679417 0.96 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24061105 0.92 FYN (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11996634 0.91 NPC1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14679386 0.86 NPC1 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL9492626 0.86 NPC1 (0.68) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18773534 0.85 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL24061104 0.85 FYN (0.59) MEN1KMT2ASMN1; SMN2HPGDKDM4E
SCHEMBL24061011 0.85 PTAFR (0.59) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL7055005 0.85 NPC1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL1909677 0.84 KDM4E (0.55) MEN1KMT2ASMN1; SMN2HPGDKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4011882-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES Purdue Research Foundation (US) 2022-06-15 EP disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 US disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
EP-2448914-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF AROMATIC CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2012-05-09 EP disclosed
US-20120095238-A1 Continuous Method For Producing Amides Of Aromatic Carboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-19 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
WO-2011000459-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF AROMATIC CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2011-01-06 WO disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 US disclosed
WO-2009013335-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-01-29 WO 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-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 NPC1 365/4885RAB9A 855/4885MEN1 1323/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A NPC1 418/4885RAB9A 813/4885MEN1 1372/4885
US-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 NPC1 743/4885RAB9A 3196/4885MEN1 2597/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA NPC1 714/4885RAB9A 331/4885MEN1 2648/4885

“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.