SCHEMBL17868830

SCHEMBL17868830

CCCCC(=O)c1c(C)ccc(C(N)=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
HSD17B3 P37058 7/20 0.39
HTR7 P34969 1/20 0.38
PLA2G2A P14555 2/20 0.37
PLA2G5 P39877 2/20 0.37
FFAR1 O14842 1/20 0.36
LMNA P02545 2/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6268758 0.77 MEN1 (0.51) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL27570581 0.76 HTT (0.57) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL28624518 0.74 HTR7 (0.46) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL17868812 0.73 PARP1 (0.38) CHRM2ADRA2A
SCHEMBL4598744 0.71 GABRP (0.43) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL28590450 0.71 MEN1 (0.42) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL28799549 0.71 HTT (0.51) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL11136175 0.71 HTT (0.51) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL29291671 0.70 MAPT (0.53) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL3628084 0.70 NOS3 (0.39) MAPTMEN1KMT2AALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 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-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HTT 1065/4885MAPT 582/4885MEN1 2691/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT HTT 1065/4885MAPT 582/4885MEN1 2691/4885

“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.