SCHEMBL12844633

SCHEMBL12844633

CCCc1cnn(C)c1-c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
BRD4 O60885 3/20 0.36
BRD9 Q9H8M2 2/20 0.36
TLR8 Q9NR97 1/20 0.35
KAT2B Q92831 1/20 0.35
TP53 P04637 2/20 0.34
PDE2A O00408 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
IDO1 P14902 1/20 0.33
METAP2 P50579 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL12844301 0.81 ALDH1A1 (0.41) HIF1ATLR8ALDH1A1METAP2SMN1; SMN2
SCHEMBL12776212 0.80 HIF1A (0.41) HIF1AF7F3BRD4BRD9
SCHEMBL12844029 0.74 PDE2A (0.43) TLR8TP53PDE2AALDH1A1PRMT5
SCHEMBL23401726 0.73 HIF1A (0.46) HIF1AF7F3BRD4TP53
SCHEMBL23402927 0.71 USP2 (0.38) HIF1ATLR8TP53ALDH1A1RAB9A
SCHEMBL9965027 0.70 MAPK1 (0.35) BRD9TP53ALDH1A1NPC1RAB9A
SCHEMBL23398673 0.70 PDE5A (0.42) TLR8ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15750557 0.69 KDM4E (0.51) HIF1AF7F3ALDH1A1NPC1
SCHEMBL23403210 0.68 ESR1 (0.40) TLR8TP53ALDH1A1IDO1NPC1
SCHEMBL26968811 0.67 HTR7 (0.39) NPC1CASP3RAB9ASMN1; SMN2SENP8

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HIF1A 1543/4885F7 3014/4885F3 1317/4885

“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.