SCHEMBL1892119

SCHEMBL1892119

O=Cc1ccccc1OCCN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
TSHR P16473 1/20 0.60
HRH1 P35367 4/20 0.60
DRD1 P21728 4/20 0.60
DRD3 P35462 3/20 0.60
DRD4 P21917 2/20 0.60
DRD5 P21918 2/20 0.60
DRD2 P14416 3/20 0.58
RAD52 P43351 1/20 0.58
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 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
SCHEMBL7320462 0.98 TSHR (0.63) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8624615 0.98 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8481677 0.97 TSHR (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
Water SCHEMBL8479959 0.97 TSHR (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL31528285 0.92 ALDH1A1 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL3570117 0.91 ALDH1A1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8622968 0.89 ALDH1A1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL7324811 0.86 ALDH1A1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL4224048 0.86 DRD1 (0.63) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8908900 0.84 TSHR (0.58) MEN1KMT2AALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
EP-2315763-B1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-06-01 EP disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2015-02-26 US disclosed
US-8846947-B2 Benzimidazoles and related analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2014-09-30 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
EP-2315763-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-05-04 EP disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003048-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
US-5962698-A PLASMINOGEN ACTIVATOR INHIBITOR ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5958929-A CONGESTIVE HEART FAILURE; HYPOTENSIVE AGENTS SANOFI (FR) 1999-09-28 US disclosed
US-5958969-A OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed
US-5948795-A PLASMINOGEN ACTIVATOR INHIBITOR ELI LILLY AND COMPANY (US) 1999-09-07 US disclosed
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 US disclosed
US-5736548-A CYCLIC GUANOSINE 3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; TREATING HEART FAILURE, HYPERTENSION SANOFI (FR) 1998-04-07 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 (2 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-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 MEN1 4039/4885KMT2A 1199/4885ALDH1A1 639/4885
US-20150057272-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 MEN1 3749/4885KMT2A 1027/4885ALDH1A1 1031/4885

“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.