SCHEMBL4493348

SCHEMBL4493348

CCN(CC)CC(=O)Nc1nc2cc3nc(NC(=O)CCl)sc3cc2s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.55
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 10/20 0.44
▸ SMN1; SMN2 Q16637 9/20 0.44
▸ NPC1 O15118 8/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ TP53 P04637 5/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ACP1 P24666 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL11256671 0.94 RAB9A (0.49) CASP2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4509401 0.90 RAB9A (0.50) CASP2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL11258414 0.87 CASP2 (0.64) CASP2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL11259059 0.86 MAPT (0.44) CASP2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL11255668 0.84 RAB9A (0.42) CASP2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL11264138 0.83 RAB9A (0.48) CASP2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4488390 0.82 CASP2 (0.66) CASP2MAPTRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11255071 0.82 RAB9A (0.47) CASP2RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4505353 0.81 KDM4E (0.56) MAPTSMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL11256200 0.81 TERT (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1TP53

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
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — US claimed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 — — US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — US disclosed
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CASP2 2393/4885MAPT 1865/4885RAB9A 696/4885

“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.

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