SCHEMBL12844161

SCHEMBL12844161

CCCc1nc(C(C)C)cs1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 3/20 0.36
DRD4 P21917 1/20 0.35
GAA P10253 2/20 0.34
CCR4 P51679 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
GRM1 Q13255 1/20 0.33

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
SCHEMBL8276154 0.83 MEN1 (0.39) SLC6A3MEN1KMT2APOLBRAB9A
SCHEMBL27569388 0.82 MEN1 (0.36) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL9258490 0.82 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL12190528 0.78 MEN1 (0.34) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL12120609 0.78 ALDH1A1 (0.40) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL5779345 0.78 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL2644083 0.78 MEN1 (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL13986776 0.78 MEN1 (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL2644081 0.78 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1
SCHEMBL5779031 0.78 KMT2A (0.38) MEN1KMT2APOLBRAB9AALDH1A1

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-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK SLC6A3 2219/4885MEN1 2003/4885KMT2A 2987/4885

“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.