SCHEMBL2496455

SCHEMBL2496455

N=c1n(Cc2ccccc2)c2ccccc2n1CC(O)COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 3/20 1.00
LMNA P02545 10/20 0.97
HTT P42858 5/20 0.97
ALOX15 P16050 2/20 0.97
HSD17B10 Q99714 1/20 0.97
KMT2A Q03164 6/20 0.84
NPSR1 Q6W5P4 6/20 0.84
SMN1; SMN2 Q16637 6/20 0.84
TSHR P16473 5/20 0.84
MEN1 O00255 4/20 0.84
MAPK1 P28482 3/20 0.84
GPR55 Q9Y2T6 1/20 0.84
MITF O75030 1/20 0.84
OPRM1 P35372 2/20 0.82
OPRD1 P41143 2/20 0.82
GAA P10253 2/20 0.77
THRB P10828 1/20 0.72
MAPT P10636 2/20 0.71
IDE P14735 1/20 0.67
XBP1 P17861 1/20 0.67

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 SCHEMBL29445223 0.99 LMNA (1.00) SLC5A2LMNAHTTALOX15HSD17B10
Bromide SCHEMBL940477 0.99 SLC5A2 (0.97) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL13332637 0.93 SLC5A2 (0.86) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2494794 0.93 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2474484 0.93 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2496035 0.93 LMNA (0.89) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL14847726 0.93 SLC5A2 (0.86) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2496102 0.92 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2497664 0.92 LMNA (0.98) SLC5A2LMNAHTTALOX15HSD17B10
SCHEMBL2495262 0.89 LMNA (0.91) SLC5A2LMNAHTTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US claimed
EP-2373629-B1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INT (DE) 2013-04-10 EP claimed
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2373629-A1 COMPOUNDS FOR TREATING CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-12 EP claimed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO claimed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-8871794-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-28 US disclosed
US-8871794-B2 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-10-28 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759520-B2 Compounds for treating cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-07 US disclosed
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS TAKTIX CORPORATION 2011-07-07 US disclosed
US-7868028-B2 Guanidine compounds as anesthetics and for treatment of nervous system disorders Drasner, Fred (US) 2011-01-11 US disclosed
US-7868028-B2 Guanidine compounds as anesthetics and for treatment of nervous system disorders Drasner, Fred (US) 2011-01-11 US disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO disclosed
WO-2010067067-A1 COMPOUNDS FOR TREATING CANCER EVOTEC AG (DE) 2010-06-17 WO disclosed
US-20100150840-A1 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-17 US disclosed
US-20100150840-A1 Small-molecule agonists for type-2 orexin receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-06-17 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 (5 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 SLC5A2 4162/4885LMNA 886/4885HTT 356/4885
US-20100150840-A1 Small-molecule agonists for type-2 orexin receptor HCRTR2, HCRTR1, OXTR SLC5A2 1397/4885LMNA 2921/4885HTT 988/4885
US-20110166181-A1 GUANIDINE COMPOUNDS AS ANESTHETICS AND FOR TREATMENT OF NERVOUS SYSTEM DISORDERS CACNA1E, GRIA4, GRIA3 SLC5A2 1700/4885LMNA 1775/4885HTT 1558/4885
US-20110312969-A1 COMPOUNDS FOR TREATING CANCER BCL2, BAX, BCL2A1 SLC5A2 2332/4885LMNA 2691/4885HTT 3022/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA SLC5A2 4703/4885LMNA 358/4885HTT 368/4885

“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.