SCHEMBL12596164

SCHEMBL12596164

CCCCOc1c(F)cc(Br)c2c1c(CC(=O)NC)cn2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.39
THRB P10828 4/20 0.39
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
MMP1 P03956 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PDE4A P27815 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ESR1 P03372 1/20 0.32
KAT6A Q92794 1/20 0.32
CCNB2 O95067 1/20 0.32

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
SCHEMBL12596158 0.88 THRB (0.49) THRATHRBMTNR1AMTNR1BESR1
SCHEMBL1163721 0.72 THRA (0.44) THRATHRBKDM4ESMN1; SMN2
SCHEMBL12596160 0.69 THRA (0.36) THRATHRBSMN1; SMN2CCNB2CCNE2
SCHEMBL12559042 0.68 MTNR1A (0.39) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL13592865 0.67 HTR6 (0.38) THRATHRB
SCHEMBL12874846 0.65 THRB (0.50) THRATHRBMTNR1AMTNR1BKDM4E
SCHEMBL1163373 0.65 HSD17B10 (0.35) SMN1; SMN2
SCHEMBL1163001 0.64 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL12596320 0.62 CCNB2 (0.39) THRATHRBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL17467930 0.62 ESR1 (0.47) KDM4EESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRA 3898/4885THRB 2538/4885MTNR1A 65/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRA 3898/4885THRB 2538/4885MTNR1A 65/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT THRA 3898/4885THRB 2538/4885MTNR1A 65/4885

“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.