SCHEMBL14769346

SCHEMBL14769346

O=C(CCCOc1ccccc1)Nc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 7/20 1.00
MAPT P10636 4/20 0.83
ALDH1A1 P00352 3/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
TP53 P04637 2/20 0.75
ALOX12 P18054 1/20 0.75
LMNA P02545 3/20 0.66
SPHK2 Q9NRA0 1/20 0.66
SPHK1 Q9NYA1 1/20 0.66
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60

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
SCHEMBL643747 0.86 NPC1 (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9431221 0.83 NPC1 (0.76) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9431284 0.81 NPC1 (0.76) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL9816345 0.81 NPC1 (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5897862 0.80 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL17817588 0.80 SPHK2 (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL27846960 0.79 NPC1 (0.69) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL11033427 0.79 RAB9A (0.82) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8540574 0.78 CYP3A4 (0.69) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL17329343 0.78 NPC1 (0.67) NPC1RAB9AMAPTALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101600-B2 Compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-08-11 US disclosed
US-9101600-B2 Compounds as RORγt modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-08-11 US disclosed
US-20130065842-A1 COMPOUNDS AS RORyT MODULATORS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-03-14 US disclosed
US-20130065842-A1 COMPOUNDS AS RORyT MODULATORS AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2013-03-14 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-20130065842-A1 COMPOUNDS AS RORyT MODULATORS AND USES THEREOF RORC, RORB, RORA NPC1 1496/4885RAB9A 2380/4885MAPT 3323/4885

“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.