SCHEMBL2463789

SCHEMBL2463789

Cc1cc(-c2cccc(C(F)(F)F)c2)nn2cnnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.47
NOTUM Q6P988 1/20 0.44
KDM1A O60341 1/20 0.43
F2RL3 Q96RI0 1/20 0.42
IDO1 P14902 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL11480916 0.82 ALDH1A1 (0.60) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL11626740 0.80 KDM4E (0.50) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL11623833 0.78 KDM4E (0.67) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL11625891 0.77 ALDH1A1 (0.59) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL11510818 0.75 KDM4E (0.47) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL11627237 0.74 KDM4E (0.49) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL10836184 0.71 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL11512880 0.70 KDM4E (0.53) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL10835376 0.70 MAOB (0.50) KDM4EALDH1A1HSD17B10HPGDCYP1A2
SCHEMBL8842832 0.68 KMO (0.53) KDM4EALDH1A1HSD17B10HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224278-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-15 US disclosed
US-4112095-A 6-Phenyl-1,2,4-triazolo[4,3-b]pyridazine hypotensive agents AMERICAN CYANAMID COMPANY (US) 1978-09-05 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 (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-20110224278-A1 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY GABBR2, GABBR1, GABRR3 KDM4E 3196/4885LMNA 1630/4885ALDH1A1 1752/4885

“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.