SCHEMBL10089307

SCHEMBL10089307

O=C(Nc1ccc(Cl)cc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 1.00
RAB9A P51151 11/20 1.00
NPC1 O15118 9/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
EPHX2 P34913 4/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
GAA P10253 1/20 0.71
TP53 P04637 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
LMNA P02545 1/20 0.68
TSHR P16473 1/20 0.68
NPSR1 Q6W5P4 1/20 0.67

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
SCHEMBL2752138 0.98 EPHX1 (0.97) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
Bicarbonate SCHEMBL4208655 0.95 EPHX1 (0.91) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13756244 0.91 EPHX1 (0.86) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13756248 0.89 EPHX1 (0.83) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12474945 0.85 EPHX1 (0.74) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15612242 0.85 EPHX1 (0.74) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12196184 0.85 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8391687 0.85 EPHX1 (1.00) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL16825746 0.84 EPHX1 (0.72) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL24988039 0.83 EPHX1 (0.73) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024246857-A1 UREA COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING ASTHMA AND PARKINSON'S DISEASE INNOPHARMASCREEN INC. (KR) 2024-12-05 WO disclosed
CN-109627429-B Preparation method of high molecular weight poly (gamma-butyrolactone) 青岛博远高分子材料研究院有限公司 2024-04-16 CN disclosed
CN-114369232-B Renewable degradable thermoplastic elastomer and preparation method thereof 青岛科技大学 2023-10-20 CN disclosed
CN-116789943-A Unsaturated polylactic acid copolyester and preparation method thereof 浙江恒逸石化研究院有限公司 2023-09-22 CN disclosed
CN-114369232-A Renewable degradable thermoplastic elastomer and preparation method thereof 青岛科技大学 2022-04-19 CN disclosed
CN-110804163-B Preparation method of bio-based copolyester containing modifiable functional group 青岛科技大学 2022-03-15 CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 EP disclosed
WO-2020083180-A1 METHOD FOR PREPARING POLY(γ-BUTYROLACTONE) WITH HIGH MOLECULAR WEIGHT 青岛科技大学 2020-04-30 WO disclosed
CN-110804163-A Preparation method of bio-based copolyester containing modifiable functional group 青岛科技大学 2020-02-18 CN disclosed
WO-2019149086-A1 POLYETHER-B-POLY (γ-BUTYROLACTONE) BLOCK COPOLYMER AND PREPARATION METHOD THEREFOR 青岛科技大学 2019-08-08 WO disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-02-19 US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-7176201-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 US disclosed
US-7176201-B2 Modulation of anxiety through blockade of anandamide hydrolysis THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-13 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 (3 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-20090048337-A1 Modulation of anxiety through blockade of anandamide hydrolysis FAAH, FAAH2, CNR2 EPHX1 27/4885RAB9A 870/4885NPC1 625/4885
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR EPHX1 2857/4885RAB9A 1325/4885NPC1 1569/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885RAB9A 3871/4885NPC1 3309/4885

“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.