SCHEMBL3735564

SCHEMBL3735564

COC1=Cc2nc3ccccc3cc2C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ TLR8 Q9NR97 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 5/20 0.38
▸ TSHR P16473 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ TP53 P04637 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.35
▸ HPGD P15428 4/20 0.35

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
SCHEMBL3732169 0.82 RXFP1 (0.36) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL3738062 0.78 NPC1 (0.45) BTKNPC1RAB9AKDM4EMEN1
SCHEMBL3739269 0.76 MAOB (0.36) NPC1RAB9AKDM4ETLR8MEN1
SCHEMBL11053518 0.76 CA12 (0.39) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3742855 0.76 MAOB (0.36) NPC1RAB9AKDM4ETLR8MEN1
SCHEMBL3366108 0.74 NPC1 (0.42) BTKNPC1RAB9AKDM4EMEN1
SCHEMBL6245655 0.73 RAB9A (0.41) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL11061072 0.73 TLR8 (0.38) NPC1RAB9AKDM4ETLR8HPGD
SCHEMBL28054211 0.71 NPC1 (0.39) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL6238756 0.70 BTK (0.41) BTKNPC1RAB9AKDM4ETLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829578-B1 Aromatic ketones and uses thereof OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-11-09 — — US disclosed
EP-1353908-B1 PROCESSES AND SYNTHETIC INTERMEDIATES FOR PREPARING N-ARYLACRIDANCARBOXYLIC ACID DERIVATIVES LUMIGEN INC (US) 2006-03-08 — — EP disclosed
EP-1353908-A4 PROCESSES AND SYNTHETIC INTERMEDIATES FOR PREPARING N-ARYLACRIDANCARBOXYLIC ACID DERIVATIVES LUMIGEN INC (US) 2004-01-28 — — EP disclosed
EP-1353908-A1 PROCESSES AND SYNTHETIC INTERMEDIATES FOR PREPARING N-ARYLACRIDANCARBOXYLIC ACID DERIVATIVES LUMIGEN, INC. (US) 2003-10-22 — — EP disclosed
WO-2002059096-A1 PROCESSES AND SYNTHETIC INTERMEDIATES FOR PREPARING N-ARYLACRIDANCARBOXYLIC ACID DERIVATIVES LUMIGEN, INC. (US) 2002-08-01 — — WO disclosed
US-6410732-B2 FORMATION OF BOND BETWEEN NITROGEN ATOM OF ACRIDAN RING AND CARBON ATOM OF ANOTHER AROMATIC OR HETEROAROMATIC RING COMPOUND; ASSAYS FOR PEROXIDASE ENZYMES AND ENZYME INHIBITORS AND IN ASSAYS EMPLOYING ENZYME-LABELED SPECIFIC BINDING PAIRS LUMIGEN, INC. 2002-06-25 — — US disclosed
US-20010031869-A1 Processes and synthetic intermediates for preparing N-arylacridancarboxylic acid derivatives LUMIGEN, INC. 2001-10-18 — — 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-20010031869-A1 Processes and synthetic intermediates for preparing N-arylacridancarboxylic acid derivatives ALDH3A1, AADAC, SPR BTK 3198/4885NPC1 4631/4885RAB9A 4128/4885

“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.

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