SCHEMBL3390064

SCHEMBL3390064

NCCCc1nc2ccccc2cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
ALDH1A1 P00352 2/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 1/20 0.41
TLR8 Q9NR97 8/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR3A P46098 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KMT2A Q03164 2/20 0.35
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PTBP1 P26599 1/20 0.35
RAB9A P51151 1/20 0.35
RCE1 Q9Y256 1/20 0.35

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
SCHEMBL31463622 1.00 PIK3CD (0.43) PIK3CDALDH1A1GLAHPGDMAPT
SCHEMBL31542516 0.91 PIK3CD (0.41) PIK3CDALDH1A1GLAHPGDMAPT
SCHEMBL7853736 0.82 PIK3CD (0.47) PIK3CDALDH1A1GLAHPGDMAPT
SCHEMBL286920 0.81 TLR8 (0.54) TLR8TDP1
SCHEMBL4027564 0.77 ALDH1A1 (0.48) PIK3CDALDH1A1GLAHPGDMAPT
SCHEMBL8354538 0.77 TLR8 (0.45) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL28275883 0.75 TLR8 (0.44) PIK3CDALDH1A1GLAHPGDMAPT
SCHEMBL4587074 0.75 TDP1 (0.48) PIK3CDALDH1A1GLAHPGDMAPT
Acridine SCHEMBL27894463 0.74 MAPT (0.68) ALDH1A1GLAHPGDMAPTACHE
SCHEMBL9628083 0.73 MAPT (0.41) ALDH1A1MAPTTLR8KMT2ACYP2A6

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-8378107-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-19 US disclosed
US-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
WO-2010039977-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-08 WO 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-20110319445-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PIK3CD 2342/4885ALDH1A1 2218/4885GLA 2084/4885

“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.