SCHEMBL2486166

SCHEMBL2486166

O=C(OCc1ccccc1)c1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.63
ALDH1A1 P00352 4/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 1/20 0.59
HCRTR1 O43613 1/20 0.59
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.55
IMPDH2 P12268 1/20 0.54
NPC1 O15118 2/20 0.52
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
PDPK1 O15530 1/20 0.50
PARP1 P09874 2/20 0.49
HTR7 P34969 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
SCHEMBL21027371 0.93 IMPDH2 (0.64) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL11134825 0.92 ALDH1A1 (0.71) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL21027368 0.85 ALDH1A1 (0.59) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL6009670 0.83 KDM4E (0.84) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL23507653 0.80 RAB9A (0.49) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL10905159 0.79 KMT2A (0.54) ALDH1A1RAB9AMAPTKMT2ASMN1; SMN2
SCHEMBL27424422 0.78 KIF11 (0.68) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL30522267 0.78 KIF11 (1.00) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL2483277 0.78 KIF11 (1.00) KIF11ALDH1A1RAB9AMAPTKMT2A
SCHEMBL21287034 0.77 KIF11 (0.59) KIF11ALDH1A1RAB9AMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
CN-1183132-C Tetracyclic azepinoindole compounds as 5-HT receptor ligands �������Ŷ���Լ��������˾ 2005-01-05 CN 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E KIF11 3092/4885ALDH1A1 2104/4885RAB9A 396/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B KIF11 4302/4885ALDH1A1 3677/4885RAB9A 478/4885

“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.