SCHEMBL19769233

SCHEMBL19769233

COc1ccc2cc3c(N)c(C(N)=O)sc3nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
MAPT P10636 5/20 0.70
KDM4E B2RXH2 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 4/20 0.70
ALOX15 P16050 2/20 0.70
HSD17B10 Q99714 2/20 0.70
TP53 P04637 2/20 0.70
GAA P10253 2/20 0.70
MEN1 O00255 2/20 0.60
MAPK1 P28482 2/20 0.60
CASP1 P29466 2/20 0.60
KMT2A Q03164 2/20 0.60
PKM P14618 1/20 0.60
HTT P42858 1/20 0.60
PRKCE Q02156 1/20 0.57
IKBKB O14920 3/20 0.52
LIMK1 P53667 2/20 0.52

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
SCHEMBL10632495 0.90 MAPT (0.61) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL10635577 0.83 KDM4E (0.59) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL16372919 0.80 MAPT (0.61) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL11001442 0.80 NPC1 (0.57) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL14758389 0.79 PRKCE (0.60) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL19769225 0.79 IKBKB (0.57) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL16451146 0.79 MAPT (0.80) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL19769205 0.78 MAPT (0.70) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL19769162 0.76 SLC14A1 (0.81) NPC1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL16451143 0.76 MAPT (0.74) NPC1RAB9AMAPTKDM4ESMN1; SMN2

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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 US disclosed
US-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION NAKAMURA, ROBERT 2018-01-18 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-20180015077-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTION CD4, CCR5, MMP8 NPC1 27/4885RAB9A 2894/4885MAPT 1713/4885

“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.