SCHEMBL175252

SCHEMBL175252

Cc1cc(-c2ccc(F)cc2F)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
SLC34A1 Q06495 5/20 0.40
GRM5 P41594 1/20 0.40
GRM2 Q14416 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HASPIN Q8TF76 2/20 0.37
KIT P10721 1/20 0.37
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
CDK7 P50613 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
DPP4 P27487 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
F2RL3 Q96RI0 1/20 0.36

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
SCHEMBL3488246 0.86 KDM4E (0.43) KDM4EHTTPDE4BPDE4DSLC34A1
SCHEMBL28103411 0.83 HSD11B1 (0.50) KDM4EHTTSLC34A1PDE10AKCNH2
SCHEMBL680128 0.81 HSD11B1 (0.41) KDM4EHTTPDE4BHSD11B1
SCHEMBL6909755 0.79 STIM1 (0.44) KDM4E
SCHEMBL3490021 0.77 POLB (0.53) KDM4EHTTPDE4BPDE4DSLC34A1
SCHEMBL3491456 0.75 HSD11B1 (0.42) KDM4EHTTPDE4BHSD11B1
SCHEMBL2342660 0.74 PSEN1 (0.43) CNR1POLB
SCHEMBL3487966 0.74 KDM4A (0.48) PDE4BGRM2KCNH2DPP4KDM4A
SCHEMBL14758804 0.73 ALPL (0.49) KDM4EHTTPDE4BPDE4DGRM5
SCHEMBL24407519 0.72 GAA (0.40) KDM4EHTTPDE4BPDE4DSLC34A1

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
WO-2022096448-A1 [(5-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed
CN-105130900-B Antifungal pyrazoles 纳幕尔杜邦公司 2018-05-22 CN disclosed
US-9131693-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-15 US disclosed
EP-2611297-B1 FUNGICIDAL PYRAZOLES DU PONT (US) 2015-06-17 EP disclosed
US-20140221448-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-8754115-B2 Fungicidal pyrazoles E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-17 US disclosed
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
US-20130143940-A1 FUNGICIDAL PYRAZOLES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
CN-103079406-A Fungicidal pyrazoles DU PONT 2013-05-01 CN disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20140221448-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 KDM4E 1961/4885HTT 4448/4885PDE4B 781/4885
US-20130143940-A1 FUNGICIDAL PYRAZOLES CYP1A1, CYP1B1, CYP4X1 KDM4E 1961/4885HTT 4448/4885PDE4B 781/4885
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 KDM4E 3578/4885HTT 3848/4885PDE4B 632/4885

“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.