SCHEMBL16828747

SCHEMBL16828747

Cc1nc(O)c(C(N)=O)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.36
▸ CD38 P28907 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ SIRT3 Q9NTG7 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33

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
SCHEMBL2437655 0.83 AKR1C4 (0.41) KDM4ESMN1; SMN2NQO2
SCHEMBL30483667 0.83 AKR1C4 (0.41) KDM4ESMN1; SMN2NQO2
SCHEMBL31692851 0.81 IKBKB (0.46) NNMTKDM4ESMN1; SMN2PARP1RCE1
Hydrochloric Acid SCHEMBL5253404 0.80 IKBKB (0.45) NNMTKDM4ESMN1; SMN2PARP1RCE1
SCHEMBL21001745 0.79 GAA (0.41) KDM4ESMN1; SMN2
SCHEMBL16828640 0.76 KDM4E (0.48) KDM4ESMN1; SMN2
SCHEMBL10186882 0.75 NNMT (0.44) NNMTKDM4ECD38PARP1SIRT3
SCHEMBL3300500 0.74 GABRP (0.46) KDM4ETDP1
SCHEMBL30006976 0.74 GABRP (0.46) KDM4ETDP1
SCHEMBL1201473 0.73 NQO2 (0.48) KDM4ESMN1; SMN2NQO2TDP1

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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
US-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (UK) 2017-10-26 — — US disclosed
EP-3083602-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Limited (GB) 2016-10-26 — — EP disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 — — WO disclosed
WO-2015092610-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER LIMITED (GB) 2015-06-25 — — 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-20170305857-A1 N-ACYLPIPERIDINE ETHER TROPOMYOSIN-RELATED KINASE INHIBITORS TNNI3, MUSK, MYLK2 NNMT 607/4885KDM4E 1532/4885CD38 1392/4885

“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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