SCHEMBL17154289

SCHEMBL17154289

CON(C)C(=O)n1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
HTT P42858 2/20 0.35
MAPT P10636 1/20 0.34
CYP24A1 Q07973 1/20 0.34
KMT2A Q03164 1/20 0.33
TBXAS1 P24557 3/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8045233 0.80 HTT (0.39) AHRHTTMAPTCYP24A1TBXAS1
SCHEMBL28857423 0.79 AHR (0.37) AHRHTTCYP24A1KMT2ATBXAS1
Iodomethane SCHEMBL22712578 0.77 AHR (0.37) AHRHTTMAPTCYP24A1TBXAS1
SCHEMBL1171099 0.76 AHR (0.42) AHRHTTTBXAS1ALDH1A1
SCHEMBL165658 0.76 HTT (0.40) AHRHTTTBXAS1ALDH1A1
SCHEMBL1527981 0.75 AHR (0.43) AHRTBXAS1
SCHEMBL9913328 0.74 CYP24A1 (0.37) AHRHTTMAPTCYP24A1TBXAS1
SCHEMBL10951816 0.73 AHR (0.49) AHRTBXAS1ALDH1A1
SCHEMBL1528059 0.73 AHR (0.41) AHRTBXAS1ALDH1A1
SCHEMBL411293 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3192795-B1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS UNIV ILLINOIS (US) 2020-12-02 EP disclosed
US-10464930-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-11-05 US disclosed
US-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-01-29 US disclosed
EP-3209641-A2 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF ROR AND THE TREATEMENT OF DISEASE Lycera Corporation (US) 2017-08-30 EP disclosed
EP-3192795-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS The Board of Trustees of the University of Illionis (US) 2017-07-19 EP disclosed
US-20170190659-A1 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-07-06 US disclosed
US-20170114052-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-04-27 US disclosed
US-20170114052-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2017-04-27 US disclosed
US-20150284357-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 US disclosed
US-20150284357-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 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 (5 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-10464930-B2 Compositions and methods for treating estrogen-related medical disorders HSD17B11, CYP19A1, ESR1 AHR 2043/4885HTT 3471/4885MAPT 1855/4885
US-20150284357-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, CYP19A1, ESR1 AHR 2043/4885HTT 3471/4885MAPT 1855/4885
US-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORB, RORA AHR 5/4885HTT 2972/4885MAPT 3446/4885
US-20170114052-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, CYP19A1, ESR1 AHR 2043/4885HTT 3471/4885MAPT 1855/4885
US-20170190659-A1 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORB, RORA, RORC AHR 7/4885HTT 3447/4885MAPT 3429/4885

“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.