SCHEMBL1448394

SCHEMBL1448394

CCCCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.63
IGF1R P08069 1/20 0.61
ALOX15 P16050 1/20 0.61
PNMT P11086 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 2/20 0.48
ADRA2A P08913 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
TACR2 P21452 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL11066232 0.98 SIGMAR1 (0.61) SIGMAR1IGF1RALOX15PNMTTAAR1
SCHEMBL22333700 0.98 SIGMAR1 (0.61) SIGMAR1IGF1RALOX15PNMTTAAR1
SCHEMBL9177318 0.94 SIGMAR1 (0.62) SIGMAR1IGF1RALOX15PNMTTAAR1
SCHEMBL429772 0.85 PNMT (0.61) SIGMAR1IGF1RALOX15PNMTTAAR1
SCHEMBL28114780 0.82 HTR2A (0.48) SIGMAR1IGF1RALOX15ALDH1A1TP53
SCHEMBL573937 0.82 IGF1R (0.61) IGF1RALOX15ALDH1A1TP53ESR1
SCHEMBL14402440 0.82 HTR2A (0.48) SIGMAR1ALDH1A1TP53ESR1ADRA2A
SCHEMBL24454689 0.81 HTR2A (0.52) SIGMAR1ALDH1A1TP53ESR1ADRA2A
SCHEMBL22748316 0.81 ESR1 (0.47) SIGMAR1ALDH1A1TP53ESR1ADRA2A
SCHEMBL22748319 0.81 ABL1 (0.55) SIGMAR1ALDH1A1TP53ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292623-A1 Acylated phthalocyanines Karlsruher Institut für Technologie (DE) 2011-03-09 EP claimed
US-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS INTERVET INC. (US) 2017-07-13 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-8198433-B2 Acylated phthalocyanines KARLSRUHER INSTITUT FUER TECHNOLOGIE (DE) 2012-06-12 US disclosed
EP-2292623-A1 Acylated phthalocyanines Karlsruher Institut für Technologie (DE) 2011-03-09 EP disclosed
US-20110054166-A1 ACYLATED PHTHALOCYANINES KARLSRUHER INSTITUT FUER TECHNOLOGIE (DE) 2011-03-03 US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 EP 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-20170196854-A1 USE OF ANTHELMINTIC AGENTS AGAINST DIROFILARIA IMMITIS MPO, DHODH, DHX35 SIGMAR1 4211/4885IGF1R 4789/4885ALOX15 2709/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 SIGMAR1 2792/4885IGF1R 3694/4885ALOX15 3561/4885

“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.