SCHEMBL18854136

SCHEMBL18854136

CCc1ncccc1-c1ccc(NC(=O)N2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15730146 0.84 RAB9A (0.56) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL15723899 0.82 PANK3 (0.51) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL6666475 0.76 HTR2C (0.60) RAB9ANPC1KMT2A
SCHEMBL8361622 0.73 RAB9A (0.97) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL20371541 0.71 CNR2 (0.56) KDM4E
SCHEMBL17066911 0.70 MKNK1 (0.51)
SCHEMBL20371667 0.70 IKBKB (0.48) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL20371520 0.70 MKNK1 (0.66)
SCHEMBL12844141 0.70 LMNA (0.53) NPC1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL20371609 0.68 SYK (0.46) RAB9ANPC1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN RAB9A 357/4885NPC1 2/4885KMT2A 2804/4885

“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.