SCHEMBL6797734

SCHEMBL6797734

O=C(Nc1cccc2ccccc12)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
CYP1A2 P05177 2/20 0.68
CYP3A4 P08684 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
CYP2C9 P11712 1/20 0.68
KMT2A Q03164 4/20 0.60
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
TAOK1 Q7L7X3 1/20 0.53
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
ALOX5 P09917 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.49

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
SCHEMBL26885232 0.91 NPC1 (0.81) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL26889463 0.85 NPC1 (0.77) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL26885257 0.84 RAB9A (0.69) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL26885225 0.84 RAB9A (0.74) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL26885585 0.83 RAB9A (0.77) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL30184438 0.81 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4642544 0.81 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL7539037 0.80 NPC1 (0.78) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3659724 0.80 RAB9A (0.84) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL18992223 0.80 ALOX5 (0.72) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP claimed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US claimed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US claimed
US-6727245-B2 4-(HETERO)ARYL-3-OXO-3,4-DIHYDROPYRIDO(2,3-B)PYRAZINE DERIVATIVES; PROPHYLACTIC OR THERAPEUTIC TREATMENT OF PHOSPHODIESTERASE IV AND TUMOR NECROSIS FACTOR MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-27 US disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-20020107251-A1 Heterobicyclic derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-08 US disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO 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-20020107251-A1 Heterobicyclic derivatives ARSA, ARRB1, SULT2A1 NPC1 875/4885RAB9A 1092/4885CYP1A2 181/4885

“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.