SCHEMBL6309604

SCHEMBL6309604

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
PKM P14618 1/20 0.65
CHRNA7 P36544 5/20 0.57
CCR3 P51677 1/20 0.52
USP30 Q70CQ3 2/20 0.51
MCHR1 Q99705 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
AKR1C3 P42330 1/20 0.48
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL6309601 1.00 NPC1 (0.67) NPC1PKMCHRNA7CCR3USP30
SCHEMBL6303495 0.94 NPC1 (0.69) NPC1PKMCHRNA7CCR3USP30
SCHEMBL6303119 0.90 CHRNA7 (0.67) NPC1PKMCHRNA7USP30
SCHEMBL6303120 0.90 CHRNA7 (0.67) NPC1PKMCHRNA7USP30
SCHEMBL6309530 0.89 CHRNA7 (0.58) NPC1PKMCHRNA7USP30
SCHEMBL6309537 0.89 CHRNA7 (0.58) NPC1PKMCHRNA7USP30
SCHEMBL6305269 0.88 CHRNA7 (0.57) NPC1PKMCHRNA7CCR3USP30
SCHEMBL6305260 0.88 CHRNA7 (0.57) NPC1PKMCHRNA7CCR3USP30
SCHEMBL4795803 0.85 CHRNA7 (0.75) NPC1CHRNA7KMT2ARAB9A
SCHEMBL6311051 0.85 CHRNA7 (0.58) NPC1PKMCHRNA7CCR3USP30

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-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US claimed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-6852716-B2 Substituted-aryl compounds for treatment of disease PFIZER INC (US) 2005-02-08 US disclosed
US-20030236279-A1 Substituted-aryl compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236279-A1 Substituted-aryl compounds for treatment of disease NAT1, CYP7A1, CYP7B1 NPC1 46/4885PKM 987/4885CHRNA7 2937/4885

“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.