SCHEMBL2227233

SCHEMBL2227233

N#CC1(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
CYP3A4 P08684 3/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
RAB9A P51151 6/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 3/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 3/20 0.43

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
SCHEMBL2225760 0.94 MAPT (0.46) ALDH1A1CYP3A4KMT2AMEN1CYP1A2
SCHEMBL6976351 0.90 KMT2A (0.42) ALDH1A1CYP3A4KMT2AMEN1CYP1A2
SCHEMBL2221989 0.90 AR (0.47) ALDH1A1CYP3A4KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL17766782 0.89 KMT2A (0.41) ALDH1A1CYP3A4KMT2AMEN1CYP1A2
SCHEMBL2227488 0.88 HDAC4 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1LMNA
SCHEMBL17766760 0.85 OTUD7B (0.44) ALDH1A1CYP3A4KMT2AMEN1CYP1A2
SCHEMBL2227189 0.79 AR (0.47) KMT2ACYP1A2RAB9ASMN1; SMN2NPC1
SCHEMBL2224811 0.76 RAB9A (0.49) ALDH1A1CYP3A4KMT2AMEN1CYP1A2
SCHEMBL2224539 0.76 RAB9A (0.49) ALDH1A1KMT2AMEN1RAB9AHTT
SCHEMBL2226898 0.76 RAB9A (0.49) ALDH1A1KMT2AMEN1CYP1A2RAB9A

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
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885CYP3A4 216/4885KMT2A 1768/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY ALDH1A1 1152/4885CYP3A4 216/4885KMT2A 1768/4885

“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.