SCHEMBL14698684

SCHEMBL14698684

Clc1ccc2c(c1)CCc1cc(Cl)ccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.59
HTR5A P47898 4/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR2B P41595 3/20 0.53
HTR3A P46098 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
DRD4 P21917 2/20 0.53
HTR1D P28221 2/20 0.53
HTR7 P34969 2/20 0.53
SCN9A Q15858 1/20 0.50
PNMT P11086 1/20 0.45
CMA1 P23946 1/20 0.44
SRD5A1 P18405 2/20 0.43
PKM P14618 2/20 0.43
CHEK1 O14757 1/20 0.42
LIMK1 P53667 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL14698807 0.90 MAPT (0.53) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL16817933 0.88 AHR (0.49) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL14809527 0.86 AHR (0.70) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL1764573 0.86 AHR (0.70) AHRCMA1SRD5A1PKMHTT
SCHEMBL6820086 0.86 AHR (0.50) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL14730906 0.81 DRD4 (0.49) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL6956357 0.81 AHR (0.59) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL23188828 0.78 AHR (0.47) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL14008720 0.78 AHR (0.47) AHRHTR5AHTR2AHTR2CHTR2B
SCHEMBL7492910 0.78 AHR (0.66) AHRHTR5AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024493-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2024-07-02 US disclosed
US-12024493-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2024-07-02 US disclosed
US-20220153709-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2022-05-19 US disclosed
US-20200115350-A1 Isoxazole Hydroxamic Acids As Histone Deacetylase 6 Inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION 2020-04-16 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-9540358-B2 Tricyclic compounds as anticancer agents ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-01-10 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2014-07-31 US disclosed
EP-2744808-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS Mount Sinai School of Medicine (US) 2014-06-25 EP disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 WO disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 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 (4 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-20220153709-A1 ISOXAZOLE HYDROXAMIC ACIDS AS HISTONE DEACETYLASE 6 INHIBITORS HDAC1, HDAC7, HDAC5 AHR 457/4885HTR5A 2110/4885HTR2A 3112/4885
US-12024493-B2 Isoxazole hydroxamic acids as histone deacetylase 6 inhibitors HDAC1, HDAC7, HDAC5 AHR 457/4885HTR5A 2110/4885HTR2A 3112/4885
US-20140213578-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TFEB, FOXO3, FOXO1 AHR 209/4885HTR5A 564/4885HTR2A 1110/4885
US-20200115350-A1 Isoxazole Hydroxamic Acids As Histone Deacetylase 6 Inhibitors HDAC1, HDAC7, HDAC5 AHR 558/4885HTR5A 1873/4885HTR2A 2977/4885

“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.