SCHEMBL4498347

SCHEMBL4498347

CCN(CC)CC(=O)N(C)c1nc2cc3nc(N(C)C(=O)CN(CC)CC)sc3cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CASP3 P42574 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 3/20 0.39
HTR2C P28335 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAD52 P43351 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
SCHEMBL4501912 0.86 KMT2A (0.43) LMNAKMT2AMEN1HTR2CNPSR1
SCHEMBL4502361 0.81 WNT3A (0.42) WNT3ALMNANPC1RAB9AALDH1A1
SCHEMBL4512266 0.73 NPC1 (0.45) LMNANPC1RAB9ACYP1A2CYP2D6
SCHEMBL11255745 0.72 HTR2C (0.41) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL4502145 0.72 HTR2C (0.41) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL11256191 0.72 HDAC6 (0.38) LMNANPC1RAB9AALDH1A1TP53
SCHEMBL11256671 0.71 RAB9A (0.49) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL4503387 0.71 ALDH1A1 (0.47) LMNANPC1RAB9ACYP1A2CYP2D6
SCHEMBL11256677 0.71 HTR2C (0.42) LMNANPC1RAB9AALDH1A1TP53
SCHEMBL4506436 0.71 RAB9A (0.35) WNT3ALMNANPC1RAB9AALDH1A1

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 3 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

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 WNT3A 1018/4885LMNA 157/4885NPC1 93/4885

“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.