SCHEMBL10237932

SCHEMBL10237932

Cc1sc(-c2ccc(Cl)nc2)nc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.37
▸ CHRNB2 P17787 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PIK3CD O00329 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ACHE P22303 1/20 0.30

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
SCHEMBL10237934 0.86 RAB9A (0.40) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10237938 0.85 PIK3CA (0.40) PIK3CAPIK3CD
SCHEMBL13058500 0.84 PIK3CA (0.35) PIK3CACHRNB2MEN1KMT2AALDH1A1
SCHEMBL10237919 0.84 RAB9A (0.38) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL10237915 0.83 SLC6A3 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL16215997 0.83 SLC6A3 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10237901 0.82 PDE3B (0.34) MEN1KMT2AMAPTACHE
SCHEMBL10237917 0.82 DHODH (0.35) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10238096 0.82 NPC1 (0.40) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL10237930 0.81 NPC1 (0.34) NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC PIK3CA 2606/4885CHRNB2 2150/4885MEN1 4762/4885

“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.

Send feedback