SCHEMBL76629

SCHEMBL76629

Nc1ccc(N2CCCC2)c(Cl)c1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.96
POLB P06746 3/20 0.96
MAPT P10636 8/20 0.70
GAA P10253 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
KDM4E B2RXH2 3/20 0.68
RAD52 P43351 1/20 0.68
HTT P42858 3/20 0.66
MEN1 O00255 2/20 0.61
THRB P10828 2/20 0.61
KMT2A Q03164 2/20 0.61
NR4A1 P22736 1/20 0.61
PTK2B Q14289 1/20 0.61
ALOX15 P16050 1/20 0.56
GFER P55789 1/20 0.56
YWHAG P61981 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A3 P47895 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL160768 0.98 ALDH1A1 (1.00) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL30336487 0.98 ALDH1A1 (1.00) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL15358686 0.91 ALDH1A1 (0.81) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL24876694 0.84 MAPT (0.87) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL5563405 0.84 MAPT (0.84) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL28022083 0.84 ALDH1A1 (0.70) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL17450415 0.83 ALDH1A1 (0.68) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL6128549 0.82 ALDH1A1 (0.68) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL18452907 0.82 MAPT (0.69) ALDH1A1POLBMAPTGAASMN1; SMN2
SCHEMBL156279 0.82 MAPT (0.96) ALDH1A1POLBMAPTGAASMN1; SMN2

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 78 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 claimed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US claimed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US claimed
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 WO disclosed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
US-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-10-20 US disclosed
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-18 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
US-8822458-B2 Substituted oxazolidinones and their use in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-02 US disclosed
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-4642383-A 2,21-DIHYDROXYDIPHENYL SULFIDES, SULFOXIDES, AND SULFONES JAMES RIVER GRAPHICS, INC. (US) 1987-02-10 US disclosed
EP-0192638-A1 LEMON-YELLOW DIAZO COMPOSITIONS JAMES RIVER-GRAPHICS, INC. (US) 1986-09-03 EP disclosed
WO-1986001505-A1 LEMON-YELLOW DIAZO COMPOSITIONS JAMES RIVER GRAPHICS, INC. (US) 1986-03-13 WO disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 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-20160303138-A1 Combination Therapy Of Substituted Oxazolidinones P2RY12, P2RY11, P2RY1 ALDH1A1 153/4885POLB 1805/4885MAPT 4859/4885
US-20130316999-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885POLB 1473/4885MAPT 4752/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX ALDH1A1 4307/4885POLB 2913/4885MAPT 288/4885
US-20150166568-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B ALDH1A1 194/4885POLB 1473/4885MAPT 4752/4885

“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.