SCHEMBL12141971

SCHEMBL12141971

CC(C)c1ccc(C(=O)c2ccccn2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ HSD17B14 Q9BPX1 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NAPRT Q6XQN6 1/20 0.43
▸ P4HTM Q9NXG6 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ TLR7 Q9NYK1 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL12894455 0.81 ALDH1A1 (0.48) KMT2AALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL12844484 0.80 KMT2A (0.61) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL19514550 0.76 KMT2A (0.61) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL12844277 0.76 KMT2A (0.56) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL1884484 0.76 KMT2A (0.56) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL12775476 0.76 KMT2A (0.56) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL29485021 0.74 KMT2A (0.72) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL743166 0.74 KMT2A (0.72) KMT2AHSD17B14ALDH1A1CES2CES1
SCHEMBL11176498 0.73 KCNJ1 (0.44) KMT2ALMNAP4HTML3MBTL1POLB
SCHEMBL30043919 0.73 HCAR3 (0.56) ALDH1A1NAPRTP4HTMMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — US disclosed
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 — — 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — 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 (3 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-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S KMT2A 2693/4885HSD17B14 66/4885ALDH1A1 134/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK KMT2A 2987/4885HSD17B14 166/4885ALDH1A1 148/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S KMT2A 2693/4885HSD17B14 66/4885ALDH1A1 134/4885

“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.

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