SCHEMBL633387

SCHEMBL633387

CC(C)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
CA14 Q9ULX7 1/20 0.53
EPHX1 P07099 2/20 0.47
EPHX2 P34913 2/20 0.47
RAPGEF4 Q8WZA2 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
APEX1 P27695 1/20 0.44
SLC6A2 P23975 2/20 0.44
ADRA1A P35348 2/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL3958074 0.89 CYP3A4 (0.57) MMP8MMP14CA14EPHX1EPHX2
SCHEMBL12368476 0.83 TDP1 (0.41) MMP8MMP14CA14RAPGEF4TDP1
SCHEMBL14268256 0.83 RAPGEF4 (0.52) RAPGEF4CYP3A4TSHRL3MBTL1MAPT
SCHEMBL13727629 0.81 ABL1 (0.47) MMP8MMP14CA14TDP1CYP3A4
SCHEMBL26239894 0.81 TDP1 (0.40) MMP8MMP14CA14TDP1CYP3A4
SCHEMBL19089429 0.81 RAPGEF4 (0.50) MMP8MMP14CA14RAPGEF4TDP1
SCHEMBL14453835 0.81 ALDH1A1 (0.47) MMP8MMP14CA14EPHX2TDP1
SCHEMBL631778 0.81 TSHR (0.53) RAPGEF4CYP3A4LMNAALDH1A1TSHR
SCHEMBL4202904 0.80 SLC6A4 (0.41) MMP8MMP14CA14SLC6A2SLC6A4
SCHEMBL12744490 0.79 ALDH1A1 (0.63) MMP8MMP14CA14EPHX1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 US disclosed
US-20210309665-A1 COMPOUND HAVING TRKA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR ALLEVIATING PAIN, CONTAINING SAME AS ACTIVE INGREDIENT JBKLAB CO., LTD (KR) 2021-10-07 US disclosed
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2019-11-14 US disclosed
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2019-07-30 US disclosed
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 US disclosed
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2018-03-08 US disclosed
WO-2018019987-A1 COMPOUNDS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION Universidad Autónoma de Madrid (ES) 2018-02-01 WO disclosed
EP-3275863-A1 COMPOUNDS FOR TREATING CONGENITAL DISORDERS OF GLYCOSYLATION Universidad Autónoma de Madrid (ES) 2018-01-31 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
WO-2008046756-A1 AMINOMETHYL-2-IMIDAZOLES WITH AFFINITY WITH THE TRACE AMINE ASSOCIATED RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
US-7335677-B2 Inhibitors of dipeptidyl peptidase IV FERRING B.V. (NL) 2008-02-26 US disclosed
EP-0479877-B1 METHOD OF PREPARING N-ALKYL-HALOANILINES HOECHST AG (DE) 1994-10-12 EP disclosed
US-5292957-A Process for the preparation of N-alkylhalogenoanilines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
EP-0479877-A1 METHOD OF PREPARING N-ALKYL-HALOANILINES. HOECHST AG (DE) 1992-04-15 EP disclosed
WO-1991000262-A1 METHOD OF PREPARING N-ALKYL-HALOANILINES HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-10 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 (8 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-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 MMP8 1133/4885MMP14 3166/4885CA14 1105/4885
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 MMP8 1133/4885MMP14 3166/4885CA14 1105/4885
US-20080096906-A1 AMINOMETHYL-2-IMIDAZOLES HTR2C, AHR, HAX1 MMP8 4697/4885MMP14 4881/4885CA14 4421/4885
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MMP8 4242/4885MMP14 1210/4885CA14 3418/4885
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 MMP8 1133/4885MMP14 3166/4885CA14 1105/4885
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 MMP8 1133/4885MMP14 3166/4885CA14 1105/4885
US-20210309665-A1 COMPOUND HAVING TRKA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR ALLEVIATING PAIN, CONTAINING SAME AS ACTIVE INGREDIENT NGF, OPRL1, TRPV1 MMP8 1552/4885MMP14 2850/4885CA14 4451/4885
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 MMP8 4235/4885MMP14 2449/4885CA14 2941/4885

“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.