SCHEMBL1908790

SCHEMBL1908790

Oc1ccccc1-c1cn(-c2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA5A P35218 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
NOTUM Q6P988 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
HDAC8 Q9BY41 1/20 0.48
PTGS2 P35354 2/20 0.48
P2RX7 Q99572 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 1/20 0.45
SNCA P37840 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL4240353 0.84 MIF (0.49) MIFCA1CA2CA5ACA5B
SCHEMBL23288093 0.82 PIK3CA (0.49) MIFCA1CA2CA5ACA5B
SCHEMBL16220810 0.81 CA1 (0.68) MIFCA1CA2CA5ACA5B
SCHEMBL27984092 0.81 CA12 (0.53) MIFCA1CA2CA5ACA5B
SCHEMBL12420382 0.81 FLT3 (0.49) MIFCA1CA2CA5ACA5B
SCHEMBL28661840 0.80 NOTUM (0.57) MIFCA1CA2CA5ACA5B
SCHEMBL4550718 0.78 HSP90AA1 (0.51) MIFCA1CA2CA5ACA5B
SCHEMBL23086229 0.77 HSD17B1 (0.74) MIFCA1CA2CA5ACA5B
SCHEMBL1119554 0.77 PTGS2 (0.66) MIFCA1CA2CA5ACA5B
SCHEMBL23430997 0.77 MAPT (0.77) MIFCA1CA2CA5ACA5B

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-8115009-B2 UV-absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20110105765-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2011-05-05 US disclosed
US-7909458-B2 UV-absorbers for ophthalmic lens materials ALCON, INC. (CH) 2011-03-22 US disclosed
US-20100207068-A1 PROCESS FOR PRODUCING PURIFIED SYNTHESIS GAS FROM SYNTHESIS GAS COMPRISING TRACE AMOUNTS OF SULPHUR CONTAMINANTS WITH A METAL-ORGANIC FRAMEWORK SHELL OIL COMPANY 2010-08-19 US disclosed
US-20080266519-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON RESEARCH, LTD. (US) 2008-10-30 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 (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-20080266519-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS UACA, CRYZ, CRYAA MIF 567/4885CA1 2622/4885CA2 3213/4885
US-20110105765-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS UACA, CRYZ, CRYAA MIF 567/4885CA1 2622/4885CA2 3213/4885

“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.