SCHEMBL197577

SCHEMBL197577

[O-][S+](c1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
AHR P35869 2/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALOX5 P09917 1/20 0.39
MAOB P27338 1/20 0.37
RPA1 P27694 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
KIF11 P52732 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDO1 P14902 1/20 0.33
HTT P42858 2/20 0.32
PTGS2 P35354 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 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
SCHEMBL9637222 1.00 CYP1A2 (0.48) CYP1A2AHRLMNACYP2A6ALOX5
SCHEMBL9637022 0.92 LMNA (0.50) CYP1A2LMNACYP2A6ALDH1A1CYP3A4
SCHEMBL9635796 0.92 LMNA (0.50) CYP1A2LMNACYP2A6ALDH1A1CYP3A4
SCHEMBL548628 0.92 LMNA (0.50) CYP1A2LMNACYP2A6ALDH1A1CYP3A4
SCHEMBL7012964 0.82 CYP1A2 (0.46) CYP1A2AHRLMNACYP2A6ALOX5
SCHEMBL197578 0.82 TSHR (0.48) CYP1A2LMNACYP2A6ALDH1A1CYP3A4
SCHEMBL9635825 0.80 CYP2A6 (0.38) AHRLMNACYP2A6ALDH1A1CYP3A4
SCHEMBL7935399 0.80 MAPK1 (0.46) CYP1A2LMNACYP2A6MAOBALDH1A1
SCHEMBL10923598 0.80 MEN1 (0.50) LMNACYP2A6MAOBALDH1A1CYP3A4
SCHEMBL7937426 0.80 MAPT (0.41) CYP1A2LMNACYP2A6ALDH1A1NPC1

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-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 CYP1A2 191/4885AHR 5/4885LMNA 2664/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 CYP1A2 228/4885AHR 17/4885LMNA 3345/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR CYP1A2 856/4885AHR 3/4885LMNA 2021/4885

“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.