SCHEMBL10246900

SCHEMBL10246900

CSCCC(=O)N(C)c1nnc(-c2cncnc2)s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HSD17B10 Q99714 15/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 3/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL255640 0.86 HSD17B10 (0.47) KDM4EHSD17B10RAB9AALDH1A1TP53
SCHEMBL255642 0.86 HSD17B10 (0.47) KDM4EHSD17B10RAB9AALDH1A1TP53
SCHEMBL173467 0.86 HSD17B10 (0.64) KDM4EHSD17B10RAB9AALDH1A1TSHR
SCHEMBL255431 0.85 KDM4E (0.69) KDM4EHSD17B10RAB9AALDH1A1TP53
SCHEMBL10246903 0.85 KDM4E (0.46) KDM4EHSD17B10RAB9AALDH1A1TP53
SCHEMBL255154 0.85 KDM4E (0.46) KDM4EHSD17B10RAB9AALDH1A1TP53
SCHEMBL255430 0.81 HSD17B10 (0.53) KDM4EHSD17B10RAB9AALDH1A1TP53
SCHEMBL255827 0.79 HSD17B10 (0.61) KDM4EHSD17B10RAB9AALDH1A1TSHR
SCHEMBL13047525 0.78 LMNA (0.33) HSD17B10ALDH1A1CYP1A2LMNACYP3A4
SCHEMBL13048852 0.77 ALOX5 (0.33)

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
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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 (2 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2988/4885HSD17B10 2001/4885RAB9A 314/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS KDM4E 2511/4885HSD17B10 733/4885RAB9A 296/4885

“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.