SCHEMBL8303337

SCHEMBL8303337

O=C(NC1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.77
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
HPGD P15428 3/20 0.70
CYP2C19 P33261 2/20 0.70
CYP1A2 P05177 1/20 0.70
L3MBTL1 Q9Y468 2/20 0.64
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 2/20 0.61
POLB P06746 1/20 0.61
CYP2C9 P11712 1/20 0.61
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
LMNA P02545 1/20 0.59
MEN1 O00255 1/20 0.59

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
SCHEMBL28975690 0.91 MEN1 (0.64) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL520877 0.91 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP2C19
SCHEMBL126657 0.91 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP2C19
SCHEMBL28928584 0.91 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP2C19
SCHEMBL123652 0.89 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDCYP2C19
SCHEMBL12196200 0.87 EPHX1 (1.00) EPHX1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14865782 0.85 EPHX1 (0.76) EPHX1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL517178 0.85 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP2C19
SCHEMBL518043 0.85 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP2C19
SCHEMBL29927547 0.85 NPC1 (0.74) NPC1RAB9ASMN1; SMN2HPGDCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
CN-116655856-A Polymer resin for photoresist, negative photoresist and recovery method 东南大学 2023-08-29 CN disclosed
EP-2968347-B1 MODULATORS OF THE EIF2ALPHA PATHWAY UNIV CALIFORNIA (US) 2023-08-02 EP disclosed
CN-113999131-B Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-06-28 CN disclosed
CN-113999131-A Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-02-01 CN disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-8431709-B2 Acylation reaction of hydroxyl group TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-04-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-09-30 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
US-4528382-A Imidoyl substituted pyrroles MCNEILAB, INC. (US) 1985-07-09 US disclosed
US-3968211-A Compositions and methods of use of amidines for anti-arrhythmic purposes THE UPJOHN COMPANY (US) 1976-07-06 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 (2 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-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM EPHX1 923/4885NPC1 2077/4885RAB9A 3717/4885
US-20100249422-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM EPHX1 923/4885NPC1 2077/4885RAB9A 3717/4885

“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.