SCHEMBL5015198

SCHEMBL5015198

CC(=O)c1ccc(C2=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC(=N3)C(c3ccc(C(C)=O)cc3)=C3C=CC(=N3)C(c3c(Br)cccc3Br)=C3C=CC2=N3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B1 P14061 1/20 0.35
▸ CLK1 P49759 2/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ FABP4 P15090 1/20 0.32
▸ XDH P47989 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ HTT P42858 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
SCHEMBL5015183 0.80 FABP4 (0.38) FABP4MAPK1
SCHEMBL25395736 0.79 DHODH (0.35) FABP4KMT2AMEN1NPC1RAB9A
SCHEMBL5015205 0.78 KIF11 (0.33) KMT2AKDM4ENPC1RAB9A
SCHEMBL5015257 0.72 CYP1A1 (0.39) MAPTSMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL3475755 0.72 TSHR (0.44) KDM4ENPC1RAB9A
SCHEMBL5013913 0.71 — —
SCHEMBL25394857 0.71 NPC1 (0.47) SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL483513 0.71 NPC1 (0.47) SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL25395879 0.71 NPC1 (0.47) SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5016486 0.71 TOP1 (0.35) MAPTSMN1; SMN2KDM4ELMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417142-B2 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, INC. (US) 2008-08-26 — — US disclosed
US-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2006-02-09 — — US disclosed
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-06-09 — — 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-20060030718-A1 Cobalt-based catalysts for the cyclization of alkenes PPOX, HCCS, ICOSLG MAPT 3453/4885SMN1; SMN2 3991/4885HSD17B1 2651/4885
US-20050124596-A1 Chiral porphyrins, chiral metalloporphyrins, and methods for synthesis of the same PPOX, PPIF, HMBS MAPT 4138/4885SMN1; SMN2 4511/4885HSD17B1 782/4885

“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.

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