SCHEMBL9976533

SCHEMBL9976533

NCCc1cc(-c2ccc(F)s2)sc1-c1ccc(-c2sc(-c3ccc(F)s3)cc2CCN)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 2/20 0.32
RAD52 P43351 2/20 0.32
RECQL P46063 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAPDH P04406 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
AGO2 Q9UKV8 1/20 0.31
HTR2A P28223 2/20 0.30
MPO P05164 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL9976551 0.89 LTA4H (0.42) TAAR1MEN1KMT2AKDM4EMAPT
SCHEMBL14646214 0.83 HTR1D (0.30) TAAR1
SCHEMBL9976540 0.77 LTA4H (0.48) MEN1KMT2AKDM4EMAPTMAPK1
SCHEMBL17803944 0.77 CYP1A2 (0.33)
SCHEMBL9976549 0.76 LTA4H (0.46) TAAR1MEN1KMT2AKDM4EMAPT
SCHEMBL9976545 0.76 ALDH1A1 (0.40) MEN1KMT2ATDP1KDM4E
SCHEMBL9976569 0.75 DAO (0.36) MEN1KMT2AMAPT
SCHEMBL13421243 0.73 KDM4E (0.43) MEN1RAD52RECQLKMT2ATDP1
SCHEMBL15695340 0.73 TAAR1 (0.40) TAAR1MAPTHTR2A
SCHEMBL9976572 0.72 LTA4H (0.42) TAAR1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710246-B2 Substituted thiophene pentamers BIOCHROMIX NEWCO AB (SE) 2014-04-29 US disclosed
US-8710246-B2 Substituted thiophene pentamers BIOCHROMIX NEWCO AB (SE) 2014-04-29 US disclosed
US-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY BIOCHROMIX PHARMA AB 2012-06-21 US disclosed
US-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY BIOCHROMIX PHARMA AB 2012-06-21 US disclosed
WO-2010044744-A1 NOVEL THIOPHENE COMPOUNDS FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2010-04-22 WO disclosed
WO-2010044743-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPHY BIOCHROMIX PHARMA AB (SE) 2010-04-22 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 (1 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-20120157516-A1 NOVEL THIOPHENE COMPOUNDS FOR USE IN THERAPY HSPE1, TTR, HTT TAAR1 2845/4885MEN1 4815/4885RAD52 2637/4885

“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.