SCHEMBL3403392

SCHEMBL3403392

O=C(Nc1ccc2c(c1)CCNC2)Nc1ccccc1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.71
RAB9A P51151 14/20 0.71
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 2/20 0.53
MELK Q14680 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
Hydrochloric Acid SCHEMBL1189464 0.99 NPC1 (0.70) NPC1RAB9ASMN1; SMN2HTTPOLB
Hydrochloric Acid SCHEMBL1188006 0.85 NPC1 (0.53) NPC1RAB9APOLBMELKMEN1
Hydrochloric Acid SCHEMBL1187457 0.84 RAB9A (0.70) NPC1RAB9AHTTPOLBMELK
Hydrochloric Acid SCHEMBL1189614 0.84 MELK (0.55) NPC1RAB9ASMN1; SMN2POLBMELK
Hydrochloric Acid SCHEMBL1188323 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2POLBMELK
Hydrochloric Acid SCHEMBL1189834 0.82 MELK (0.54) NPC1RAB9APOLBMELKMEN1
SCHEMBL5467483 0.82 RAB9A (0.73) NPC1RAB9ASMN1; SMN2POLBPKM
Hydrochloric Acid SCHEMBL1188742 0.81 RAB9A (0.68) NPC1RAB9ASMN1; SMN2HTTMELK
Hydrochloric Acid SCHEMBL1188577 0.81 NPC1 (0.50) NPC1RAB9AMELKMEN1KMT2A
Hydrochloric Acid SCHEMBL1188841 0.81 RAB9A (0.71) NPC1RAB9ASMN1; SMN2POLBPKM

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
EP-2256105-B1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-12-04 EP disclosed
EP-2256105-A1 NOVEL TETRAHYDROISOQUINOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-12-01 EP disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP 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-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 NPC1 1089/4885RAB9A 1528/4885SMN1; SMN2 4424/4885

“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.