SCHEMBL16997481

SCHEMBL16997481

CCCOc1ccc(Br)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.50
AR P10275 1/20 0.50
NR1I2 O75469 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL3364550 0.87 PTGDR2 (0.53) HPGDSMN1; SMN2LMNARAB9AKMT2A
SCHEMBL7371844 0.87 PTGDR2 (0.56) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL16997486 0.86 PTGDR2 (0.48) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL17973700 0.86 PTGDR2 (0.68) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL2568322 0.84 SMN1; SMN2 (0.59) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL5927172 0.84 HPGD (0.52) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL6487232 0.84 HPGD (0.52) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL8336977 0.84 HTT (0.65) HPGDSMN1; SMN2LMNAKDM4EMEN1
SCHEMBL27684806 0.84 PTGDR2 (0.50) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL4600210 0.83 HPGD (0.51) HPGDSMN1; SMN2LMNANPC1RAB9A

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-20160332976-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20160332977-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-20150225384-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-08-13 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 (3 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-20160332976-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 HPGD 1696/4885SMN1; SMN2 834/4885LMNA 1766/4885
US-20160332977-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 HPGD 1696/4885SMN1; SMN2 834/4885LMNA 1766/4885
US-20150225384-A1 PROCESSES FOR PREPARING FUSED HETEROCYCLIC ION CHANNEL MODULATORS KCNN2, KCNJ2, KCNN1 HPGD 1696/4885SMN1; SMN2 834/4885LMNA 1766/4885

“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.