SCHEMBL170427

SCHEMBL170427

CCN(CC)c1ccc(N)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.63
ALDH1A1 P00352 10/20 0.52
CYP3A4 P08684 7/20 0.52
L3MBTL1 Q9Y468 5/20 0.52
TDP1 Q9NUW8 5/20 0.52
TSHR P16473 4/20 0.52
MAPK1 P28482 4/20 0.52
PSMD14 O00487 1/20 0.52
RECQL P46063 1/20 0.52
GFER P55789 1/20 0.52
TERT O14746 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
GLA P06280 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45

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 SCHEMBL4836148 0.98 S100B (0.61) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL11867613 0.86 S100B (0.49) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL4817926 0.84 S100B (0.58) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL11431090 0.81 S100B (0.70) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL24426114 0.81 S1PR1 (0.58) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL9763236 0.80 CYP3A4 (0.45) S100BALDH1A1CYP3A4TDP1TSHR
SCHEMBL9192726 0.78 S100B (0.44) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL11149905 0.78 S100B (0.66) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL29350181 0.78 S100B (1.00) S100BALDH1A1CYP3A4L3MBTL1TDP1
SCHEMBL34104 0.78 S100B (1.00) S100BALDH1A1CYP3A4L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
US-9068093-B2 Surface modification of carbon black EASTMAN KODAK COMPANY (US) 2015-06-30 US disclosed
US-9068093-B2 Surface modification of carbon black EASTMAN KODAK COMPANY (US) 2015-06-30 US disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO disclosed
US-RE37693-E1 NONLIGHT-SENSITIVE LAYER ON THE UPPERMOST SIDE OF AN EMULSION LAYER CONTAINS A 2-(2'-HYDROXYPHENYL)BENZOTRIAZOLE-TYPE COMPOUND WHICH IS LIQUID AT ROOM TEMPERATURE; PREVENTS DETERIORATION OF SURFACE GLOSS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 2002-05-07 US disclosed
US-5532138-A Method and kits for determining peroxidatively active catalysts BEHRINGWERKE AG (DE) 1996-07-02 US disclosed
EP-0177884-B1 SILVER HALIDE PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1992-08-26 EP disclosed
EP-0095920-A2 A color photographic light-sensitive material KONICA CORPORATION (JP) 1983-12-07 EP disclosed
EP-0095722-A2 Color photographic materials KONICA CORPORATION (JP) 1983-12-07 EP disclosed
US-4409321-A COLOR PHOTOGRAPHY KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1983-10-11 US disclosed
US-4335197-A SILVER HALIDE DISPERSION IN FILM-FORMING POLYMERIC COUPLER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-15 US disclosed
EP-0052942-A1 Photoimaging process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-06-02 EP disclosed
US-4248591-A HAIR DYES L'OREAL (FR) 1981-02-03 US disclosed
US-4233399-A Photographic elements containing amino-substituted hydroxy-pyridones CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-11-11 US disclosed
US-4221729-A HAIR DYES L'OREAL (FR) 1980-09-09 US disclosed
US-4182886-A OPTICAL FILTERS IN COLOR PHOTOGRAPHY CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-01-08 US disclosed
US-3977825-A Indoanilines in keratinic fiber dye cmpositions L'OREAL (FR) 1976-08-31 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 (1 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-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX S100B 515/4885ALDH1A1 4307/4885CYP3A4 2789/4885

“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.