SCHEMBL12775950

SCHEMBL12775950

CC(C)(C)Cc1nc(-c2cccc(F)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 3/20 0.49
RECQL P46063 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CYP1A2 P05177 3/20 0.43
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL12775955 0.83 RAB9A (0.59) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL12844163 0.82 KDM4E (0.59) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL16217980 0.82 KDM4E (0.67) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL12775984 0.81 L3MBTL1 (0.59) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL12775957 0.80 CYP19A1 (0.56) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL12775962 0.79 CTSS (0.46) ALDH1A1RECQLTSHRCYP1A2CYP1A1
SCHEMBL19625325 0.79 KDM4E (0.62) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL20795035 0.78 KDM4E (0.57) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8700799 0.76 KDM4E (0.68) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL23657731 0.75 L3MBTL1 (0.72) KDM4EMAPTMEN1KMT2AALDH1A1

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-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 KDM4E 3026/4885MAPT 1563/4885MEN1 2003/4885

“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.