SCHEMBL5153716

SCHEMBL5153716

Nc1ccc(NCc2cccc(CNc3ccc(N)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.47
HIF1A Q16665 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NOS1 P29475 1/20 0.44

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
Hydrochloric Acid SCHEMBL4954157 0.98 MAOA (0.47) MAOAMAOBHTTHIF1AKDM4E
Hydrochloric Acid SCHEMBL866314 0.98 MAOA (0.47) MAOAMAOBHTTHIF1AKDM4E
SCHEMBL2993170 0.92 CYP19A1 (0.55) MAOAMAOBHTTHIF1AKDM4E
SCHEMBL31438690 0.89 MAOA (0.48) MAOAMAOBHTTKDM4EMEN1
SCHEMBL2940046 0.87 HIF1A (0.61) MAOAMAOBHIF1AKDM4EMEN1
Hydrochloric Acid SCHEMBL2987245 0.86 HIF1A (0.60) MAOAMAOBHIF1AKDM4EMEN1
SCHEMBL564987 0.85 HTT (0.64) MAOAMAOBHTTMEN1ALDH1A1
SCHEMBL2551581 0.84 NOS1 (0.39) MAOAMAOBHTTHIF1AKDM4E
SCHEMBL2987758 0.83 HIF1A (0.63) HIF1AKDM4EMEN1ALDH1A1GAA
SCHEMBL2987091 0.83 NOS1 (0.56) MAOAMAOBHTTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222432-A1 TEST STRIP USING FORMALDEHYDE OR PEROXIDE, FROM AMONG SARCOSINE METABOLITES, FOR DIAGNOSING PROSTATE CANCER, AND METHOD FOR DIAGNOSING PROSTATE CANCER USING SAME CSQUARE CO., LTD (KR) 2016-08-04 US claimed
US-10558089-B2 Photoalignment composition ROLIC AG (CH) 2020-02-11 US disclosed
US-20170255064-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2017-09-07 US disclosed
US-20160222432-A1 TEST STRIP USING FORMALDEHYDE OR PEROXIDE, FROM AMONG SARCOSINE METABOLITES, FOR DIAGNOSING PROSTATE CANCER, AND METHOD FOR DIAGNOSING PROSTATE CANCER USING SAME CSQUARE CO., LTD (KR) 2016-08-04 US disclosed
US-9145398-B2 Methods of treating CXCR4-expressing cancers UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2015-09-29 US disclosed
WO-2015050366-A1 TEST STRIP USING FORMALDEHYDE OR PEROXIDE, FROM AMONG SARCOSINE METABOLITES, FOR DIAGNOSING PROSTATE CANCER, AND METHOD FOR DIAGNOSING PROSTATE CANCER USING SAME 주식회사 씨스퀘어 2015-04-09 WO disclosed
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-10-09 US disclosed
US-8785490-B2 Compounds for treating disease, for administering, and for pharmaceutical compositions UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2014-07-22 US disclosed
US-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
WO-2011127333-A2 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2011-10-13 WO disclosed
US-7422609-B2 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2008-09-09 US disclosed
US-7422609-B2 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2008-09-09 US disclosed
US-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739085-A1 Cosmetic composition containing a double para-phenylenediamines joined by an aromatic group and use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739085-A1 Cosmetic composition containing a double para-phenylenediamines joined by an aromatic group and use in dyeing L'OREAL (FR) 2007-01-03 EP disclosed
EP-1739085-A1 Cosmetic composition containing a double para-phenylenediamines joined by an aromatic group and use in dyeing L'OREAL (FR) 2007-01-03 EP 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 (3 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-20070011824-A1 Double para-phenylenediamines joined by an aromatic group for dyeing keratin fibers KRT18, CDC73, JUP MAOA 577/4885MAOB 597/4885HTT 4081/4885
US-20130059852-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 MAOA 350/4885MAOB 210/4885HTT 14/4885
US-20140303170-A1 COMPOUNDS FOR TREATING DISEASE, FOR ADMINISTERING, AND FOR PHARMACEUTICAL COMPOSITIONS PKD1, PCSK9, SLC10A1 MAOA 350/4885MAOB 210/4885HTT 14/4885

“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.