SCHEMBL13637169

SCHEMBL13637169

CCc1ccc(-c2cccnn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
METAP2 P50579 1/20 0.44
TP53 P04637 2/20 0.41
HDAC4 P56524 1/20 0.40
DHODH Q02127 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
WNT3A P56704 4/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.38
ALPL P05186 1/20 0.38
CA9 Q16790 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL6852546 0.81 WNT3A (0.42) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL6215593 0.81 MKNK1 (0.50) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL3118227 0.81 HDAC4 (0.40) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL3118237 0.81 CYP2A6 (0.50) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL13625507 0.80 XDH (0.42) RAB9AMAPTHDAC4DHODHWNT3A
SCHEMBL6852849 0.78 HDAC4 (0.41) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL6854741 0.78 EP300 (0.40) HDAC4DHODHWNT3APRMT5WDR77
SCHEMBL6850684 0.78 SLC6A2 (0.49) RAB9ASMN1; SMN2NPC1MAPTMETAP2
SCHEMBL30661704 0.78 SLC6A2 (0.49) RAB9ASMN1; SMN2NPC1MAPTMETAP2
SCHEMBL13478010 0.76 WNT3A (0.40) RAB9ANPC1MAPTHDAC4DHODH

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-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 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 (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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 RAB9A 94/4885SMN1; SMN2 2668/4885NPC1 77/4885

“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.