SCHEMBL4491644

SCHEMBL4491644

Cc1oc(/C=C/c2ccccc2)nc1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
NPC1 O15118 8/20 0.43
MAPT P10636 3/20 0.43
CYP2C19 P33261 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 2/20 0.43
ELANE P08246 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 11/20 0.42
HPGD P15428 8/20 0.42
ALDH1A1 P00352 8/20 0.42
GAA P10253 7/20 0.42
GLA P06280 6/20 0.42
ATM Q13315 3/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL4491647 1.00 RAB9A (0.43) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL10809388 0.88 NPC1 (0.46) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL10809391 0.88 NPC1 (0.46) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL2079811 0.81 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL2079808 0.81 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL4467298 0.81 KDM4E (0.58) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL4467304 0.81 KDM4E (0.58) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL27579766 0.76 KMT2A (0.47) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL27597553 0.75 CYP24A1 (0.46) RAB9ASMN1; SMN2NPC1MAPTCYP2C19
SCHEMBL13328382 0.75 ELANE (0.51) RAB9ASMN1; SMN2NPC1MAPTCYP2C19

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-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R RAB9A 2622/4885SMN1; SMN2 3304/4885NPC1 386/4885

“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.