SCHEMBL9967704

SCHEMBL9967704

CC(C)COc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
SLC2A1 P11166 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.50
NLRP1 Q9C000 1/20 0.50
TP53 P04637 1/20 0.49
S1PR4 O95977 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL8683356 0.85 SMN1; SMN2 (0.51) KDM1ASMN1; SMN2TDP1LMNACYP1A2
SCHEMBL8683353 0.85 SMN1; SMN2 (0.51) KDM1ASMN1; SMN2TDP1LMNACYP1A2
SCHEMBL5034472 0.85 SMN1; SMN2 (0.51) SMN1; SMN2TDP1LMNACYP1A2CYP2D6
SCHEMBL11595834 0.85 CYP1A2 (0.56) SMN1; SMN2TDP1LMNACYP1A2CYP2D6
SCHEMBL21164629 0.83 CYP1A2 (0.58) SMN1; SMN2TDP1LMNACYP1A2CYP2D6
SCHEMBL13499940 0.83 NPSR1 (0.57) KDM1ASMN1; SMN2LMNACYP1A2HPGD
SCHEMBL325648 0.83 SCN4A (0.60) KDM1ASMN1; SMN2TDP1LMNACYP1A2
SCHEMBL11592951 0.82 LMNA (0.57) SMN1; SMN2TDP1LMNACYP1A2CYP2D6
SCHEMBL5880864 0.81 TSHR (0.57) SMN1; SMN2TDP1LMNATSHRHPGD
SCHEMBL3722461 0.81 LMNA (0.50) KDM1ASMN1; SMN2TDP1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365493-A1 COMPOUNDS AND METHODS DemAgtech Pty Ltd (AU) 2023-11-16 US disclosed
US-20230365493-A1 COMPOUNDS AND METHODS DemAgtech Pty Ltd (AU) 2023-11-16 US disclosed
WO-2023168484-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-09-14 WO disclosed
WO-2023092188-A1 \"COMPOUNDS AND METHODS\ DemAgtech Pty Ltd (AU) 2023-06-01 WO disclosed
US-11229649-B2 Methods for treating cryptosporidiosis using triazolopyridazines UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2022-01-25 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
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 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 (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 KDM1A 2609/4885SMN1; SMN2 3965/4885TDP1 1472/4885
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD KDM1A 2876/4885SMN1; SMN2 3727/4885TDP1 1983/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A KDM1A 4312/4885SMN1; SMN2 541/4885TDP1 1815/4885
US-20190343837-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 KDM1A 2609/4885SMN1; SMN2 3965/4885TDP1 1472/4885
US-20180064711-A1 METHODS FOR TREATING CRYPTOSPORIDIOSIS USING TRIAZOLOPYRIDAZINES CLPP, SI, SAMHD1 KDM1A 2609/4885SMN1; SMN2 3965/4885TDP1 1472/4885
US-10363254-B2 Methods for treating cryptosporidiosis using triazolopyridazines CLPP, SI, SAMHD1 KDM1A 2609/4885SMN1; SMN2 3965/4885TDP1 1472/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD KDM1A 2876/4885SMN1; SMN2 3727/4885TDP1 1983/4885
US-20230365493-A1 COMPOUNDS AND METHODS DDT, CYP19A1, CYP1A1 KDM1A 397/4885SMN1; SMN2 3554/4885TDP1 2394/4885

“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.