SCHEMBL1543096

SCHEMBL1543096

O=C(NCc1ccc(Cl)cc1)C(Br)CCBr

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
THRB P10828 2/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
GAA P10253 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
SCHEMBL16885994 0.84 KMT2A (0.54) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL8562675 0.84 HPGD (0.49) KMT2AALDH1A1HPGDRAB9ATP53
SCHEMBL8562678 0.84 HPGD (0.49) KMT2AALDH1A1HPGDRAB9ATP53
SCHEMBL8568653 0.84 MMP8 (0.51) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL8568656 0.84 MMP8 (0.51) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL27520455 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1
SCHEMBL8562987 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL8561475 0.81 MTOR (0.47) MEN1KMT2A
SCHEMBL8561477 0.81 MTOR (0.47) MEN1KMT2A
SCHEMBL27485082 0.81 NPC1 (0.44) MEN1KMT2AHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 MEN1 2257/4885KMT2A 3206/4885CYP2C9 405/4885

“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.