SCHEMBL9965027

SCHEMBL9965027

CCCc1cnn(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD9 Q9H8M2 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
S1PR2 O95136 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
SCHEMBL27671148 0.88 HSD11B1 (0.34) MAPK1ALDH1A1CYP11B2KMT2APOLB
SCHEMBL8342654 0.82
Hydrochloric Acid SCHEMBL2009895 0.79 TAAR1 (0.36) MAPK1ALDH1A1MAPTCYP11B2MEN1
SCHEMBL14184717 0.78 KDM4E (0.34) MAPK1ALDH1A1MAPTCYP11B2KDM4E
SCHEMBL2259433 0.78 HDAC1 (0.37) MAPK1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL23401889 0.77 HMGCR (0.33) KDM4EBRD9S1PR2
SCHEMBL12844151 0.77 HTT (0.44) ALDH1A1SMN1; SMN2MAPTHPGDCYP11B2
SCHEMBL19385917 0.76
SCHEMBL1843191 0.76
SCHEMBL5261460 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 WO disclosed
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER INC 2012-06-21 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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK MAPK1 1305/4885ALDH1A1 148/4885SMN1; SMN2 1371/4885
US-20120157440-A1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS CSNK1A1, CSNK1A1L, CSNK1E MAPK1 233/4885ALDH1A1 3977/4885SMN1; SMN2 2431/4885

“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.