SCHEMBL15401635

SCHEMBL15401635

O=C(NCCc1ccc(Br)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ESRRG P62508 2/20 0.52
TNKS O95271 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
SCD O00767 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 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
SCHEMBL13073725 0.89 NPC1 (0.66) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL3237376 0.88 ESRRG (0.59) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL27894530 0.84 NPC1 (0.56) LMNAALDH1A1KDM4EHPGDTDP1
SCHEMBL16771933 0.82 ALDH1A1 (0.60) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL1999539 0.81 LMNA (0.51) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL16760266 0.80 KMT2A (0.48) LMNAGAAHPGDTDP1NPC1
SCHEMBL17991475 0.80 SLC6A5 (0.54) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL30365971 0.80 LMNA (0.60) LMNAGAAHPGDTP53MAPT
SCHEMBL16771863 0.79 TP53 (0.49) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL1384403 0.79 CNR2 (0.57) LMNAALDH1A1KDM4EHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104603128-B Antifungal heterocycle carbonyl acid amides 杜邦公司 2017-09-08 CN disclosed
EP-2867228-B1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES DU PONT (US) 2017-07-26 EP disclosed
EP-2867228-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES E. I. Du Pont de Nemours and Company (US) 2015-05-06 EP disclosed
CN-104603128-A Fungicidal heterocyclic carboxamides DU PONT 2015-05-06 CN disclosed
US-8815772-B2 Fungicidal heterocyclic carboxamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-26 US disclosed
WO-2014004064-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-03 WO disclosed
US-20140005231-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES FMC CORPORATION 2014-01-02 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 (1 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-20140005231-A1 FUNGICIDAL HETEROCYCLIC CARBOXAMIDES CBR3, CBR1, NOX3 LMNA 1253/4885GAA 759/4885ALDH1A1 1624/4885

“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.