SCHEMBL78364

SCHEMBL78364

Nc1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
GAA P10253 2/20 1.00
ALDH1A1 P00352 4/20 0.68
POLB P06746 2/20 0.68
KDM4E B2RXH2 3/20 0.62
RAD52 P43351 1/20 0.62
HTT P42858 2/20 0.60
ALDH3A1 P30838 1/20 0.58
ALDH1A3 P47895 1/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
THRB P10828 1/20 0.50
LGMN Q99538 1/20 0.50
AKR1C3 P42330 1/20 0.49

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
SCHEMBL29715972 1.00 MAPT (1.00) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL24876694 0.93 MAPT (0.87) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL24507284 0.87 MAPT (0.77) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL15358686 0.86 ALDH1A1 (0.81) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL6052293 0.85 MAPT (0.72) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL4377045 0.83 MAPT (0.71) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL31491393 0.83 MAPT (0.71) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL76629 0.82 ALDH1A1 (0.96) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL18452907 0.81 MAPT (0.69) MAPTSMN1; SMN2GAAALDH1A1POLB
SCHEMBL160768 0.81 ALDH1A1 (1.00) MAPTSMN1; SMN2GAAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204453-B1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES LLC (US) 2019-08-28 EP claimed
US-9914790-B2 Low molecular weight graft polymer for scale inhibitor HERCULES LLC (US) 2018-03-13 US claimed
EP-3204453-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR Hercules LLC (US) 2017-08-16 EP claimed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP claimed
WO-2016057299-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES INCORPORATED (US) 2016-04-14 WO claimed
US-20160096908-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR ISP INVESTMENTS LLC 2016-04-07 US claimed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US claimed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP claimed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US claimed
CN-101437800-A Compounds and compositions as HEDGEHOG pathway modulators IRM LLC (BM) 2009-05-20 CN claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 MAPT 4534/4885SMN1; SMN2 3424/4885GAA 2972/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885SMN1; SMN2 3605/4885GAA 2406/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A MAPT 653/4885SMN1; SMN2 594/4885GAA 382/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B MAPT 661/4885SMN1; SMN2 599/4885GAA 411/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885SMN1; SMN2 3605/4885GAA 2406/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX MAPT 288/4885SMN1; SMN2 930/4885GAA 2962/4885

“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.