SCHEMBL6325836

SCHEMBL6325836

CCN(CC)CC(=O)Nc1ccc(N)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
GAA P10253 3/20 0.69
MAPT P10636 6/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
MC4R P32245 1/20 0.53
SCN4A P35499 1/20 0.53
MC3R P41968 1/20 0.53
HTR3A P46098 1/20 0.53
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
SCN3A Q9NY46 1/20 0.53
ACHE P22303 1/20 0.52
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50

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
SCHEMBL10915942 0.84 ALDH1A1 (0.71) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL15092916 0.83 TERT (0.61) ALDH1A1GAALMNAMAPK1HTR3A
SCHEMBL9514501 0.83 CA1 (0.68) ALDH1A1GAAMAPTRAB9ATDP1
Hydrochloric Acid SCHEMBL10946103 0.83 ALDH1A1 (0.69) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL1409656 0.82 MAPT (0.66) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL8623174 0.82 ALDH1A1 (0.68) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL78475 0.82 ALDH1A1 (0.59) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL9263159 0.81 ALDH1A1 (0.67) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL16602362 0.81 ALDH1A1 (0.67) ALDH1A1GAAMAPTLMNACYP3A4
SCHEMBL3218312 0.81 ALDH1A1 (0.57) ALDH1A1GAAMAPTLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO disclosed
US-4213898-A FOR POLYACRYLONITRILE SANDOZ LTD. (CH) 1980-07-22 US disclosed
US-4032532-A AZO DYES SANDOZ LTD. (CH) 1977-06-28 US disclosed
US-3998803-A TEXTILES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1976-12-21 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-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG ALDH1A1 1712/4885GAA 940/4885MAPT 3624/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 ALDH1A1 1810/4885GAA 3750/4885MAPT 3817/4885

“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.