SCHEMBL3607172

SCHEMBL3607172

O=C(NCc1ccncc1)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.48
LMNA P02545 3/20 0.45
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3612126 0.89 CNR1 (0.56) NAMPTLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL3605877 0.87 ALDH1A1 (0.49) NAMPTLMNAMAPTTDP1ALDH1A1
SCHEMBL3476368 0.85 NAMPT (0.54) NAMPTMAPTALDH1A1KMT2A
SCHEMBL3603153 0.85 LMNA (0.44) NAMPTLMNAMAPTTDP1ALDH1A1
SCHEMBL3602176 0.84 LMNA (0.43) NAMPTLMNAMAPTTDP1ALDH1A1
SCHEMBL3596925 0.84 NPC1 (0.52) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3617333 0.84 LMNA (0.43) NAMPTLMNAMAPTTDP1ALDH1A1
SCHEMBL3607440 0.83 HSD17B10 (0.47) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3620990 0.83 LMNA (0.43) LMNAMAPTTDP1ALDH1A1SMN1; SMN2
SCHEMBL3603163 0.83 LMNA (0.43) NAMPTLMNAMAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 US claimed
US-8586588-B2 Aryl pyridazinone derivatives and their use as H3 receptor ligands CEPHALON, INC. (US) 2013-11-19 US disclosed
US-20100273779-A1 Pyridazinone Derivatives CEPHALON, INC. (US) 2010-10-28 US disclosed
US-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK & CO., INC. (US) 2010-09-02 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-20100222322-A1 Non-Nucleoside Reverse Transcriptase Inhibitors IDO1, IDO2, INMT NAMPT 45/4885LMNA 3908/4885MAPT 716/4885
US-20100273779-A1 Pyridazinone Derivatives HRH3, HNMT, HRH4 NAMPT 1159/4885LMNA 4668/4885MAPT 472/4885

“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.