SCHEMBL2475992

SCHEMBL2475992

O=Cc1ccccc1-c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
RAB9A P51151 10/20 0.58
NPC1 O15118 9/20 0.58
ALDH1A1 P00352 8/20 0.58
MAPT P10636 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
GAA P10253 5/20 0.58
L3MBTL1 Q9Y468 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 2/20 0.49
GLA P06280 3/20 0.48
ILK Q13418 2/20 0.48
HCRTR1 O43613 1/20 0.48
TP53 P04637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL31733941 0.86 RAB9A (0.59) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL5708098 0.86 KDM4E (0.62) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL11676970 0.83 KDM4E (0.58) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL231307 0.82 KDM4E (0.75) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL28590372 0.80 KDM4E (0.58) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL23723 0.80 KDM4E (0.58) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL12854008 0.80 KDM4E (0.72) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL3355189 0.80 KDM4E (0.54) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL3355183 0.80 KDM4E (0.54) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL5545830 0.77 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214428-B Benzothiazole-cyanophenyl compound serving as hydrazine fluorescence probe as well as preparation method and application method of benzothiazole-cyanophenyl compound UNIV ZHEJIANG 2014-11-26 CN claimed
CN-103214428-A Benzothiazole-cyanophenyl compound serving as hydrazine fluorescence probe as well as preparation method and application method of benzothiazole-cyanophenyl compound UNIV ZHEJIANG 2013-07-24 CN claimed
CN-103214428-B Benzothiazole-cyanophenyl compound serving as hydrazine fluorescence probe as well as preparation method and application method of benzothiazole-cyanophenyl compound UNIV ZHEJIANG 2014-11-26 CN disclosed
CN-103214428-A Benzothiazole-cyanophenyl compound serving as hydrazine fluorescence probe as well as preparation method and application method of benzothiazole-cyanophenyl compound UNIV ZHEJIANG 2013-07-24 CN disclosed
EP-2159216-B1 3-BUTENYL-1-AMINE DERIVATIVES AND THEIR USE AS Ih MODULORS FOR THE TREATMENT OF PSYCHIATIRC DISORDERS ORGANON NV (NL) 2011-10-12 EP disclosed
EP-2159216-A1 Ih - Modulators N.V. Organon (NL) 2010-03-03 EP disclosed
US-20040229910-A1 Therapeutic compounds N.V. ORGANON (NL) 2004-11-18 US disclosed
US-20020037885-A1 Therapeutic compounds DIJCKS FREDERICUS ANTONIUS (NL) 2002-03-28 US disclosed
US-6313139-B1 ADMINISTERING BENZYLAMINE DERIVATIVE FOR THERAPY OF PSYCHIATRIC DISORDER IN MAMMALS AKZO NOBEL N. V. (NL) 2001-11-06 US disclosed
CN-1275909-A In-modulators AKZO NOBEL NV (NL) 2000-12-06 CN disclosed
EP-1035843-A2 I h?-MODULATORS Akzo Nobel N.V. (NL) 2000-09-20 EP disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
WO-1999018941-A2 Ih-MODULATORS AKZO NOBEL N.V. (NL) 1999-04-22 WO 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-20040229910-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 KDM4E 1272/4885RAB9A 2259/4885NPC1 536/4885
US-20020037885-A1 Therapeutic compounds BDNF, PNMT, SLC18A2 KDM4E 1272/4885RAB9A 2259/4885NPC1 536/4885

“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.