SCHEMBL4491546

SCHEMBL4491546

NC(=O)c1c(Br)ccnc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.37
▸ PIM1 P11309 3/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ ASPH Q12797 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ DAO P14920 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MC4R P32245 1/20 0.32

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
SCHEMBL27945025 0.81 KDM4E (0.44) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ASPH
SCHEMBL28176465 0.80 SIRT3 (0.43) NTRK1PIM1ACVR1MKNK1MKNK2
SCHEMBL4767580 0.80 PIM1 (0.37) NTRK1PIM1ACVR1KDM4ECSNK2A1
SCHEMBL4793593 0.80 POLB (0.38) NTRK1PIM1ACVR1KDM4EL3MBTL1
SCHEMBL16414368 0.79 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL28182603 0.76 KMT2A (0.38) NTRK1PIM1ACVR1KDM4EL3MBTL1
SCHEMBL3465569 0.73 CCNC (0.33) NTRK1PIM1ACVR1CCNCCDK8
SCHEMBL3465357 0.72 NTRK1 (0.34) NTRK1PIM1ACVR1KDM4ECCNC
SCHEMBL30881695 0.72 KDM4E (0.43) KDM4EL3MBTL1ALDH1A1SMN1; SMN2ASPH
SCHEMBL15991433 0.72 SIRT3 (0.43) NTRK1PIM1ACVR1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112566905-B Substituted phenylpropenyl pyridine derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2024-07-30 — — CN disclosed
US-7632865-B2 Thioamides and salts thereof and cytokine production inhibitors containing both ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-12-15 — — US disclosed
US-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both ISHIHARA SANGYO KAISHA, LTD (JP) 2007-09-20 — — 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-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both IFNG, TST, STAT6 NTRK1 3913/4885PIM1 366/4885ACVR1 1324/4885

“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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