SCHEMBL16853579

SCHEMBL16853579

COC(=O)Cn1cnc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 1/20 0.36
ALOX15 P16050 1/20 0.35
KAT2B Q92831 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
ALPL P05186 2/20 0.33
POLB P06746 2/20 0.33
PLAA Q9Y263 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL307578 0.83 RAB9A (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL2961993 0.81 ALPL (0.50) KDM4EALDH1A1HSD17B10PSEN1PSEN2
SCHEMBL1800598 0.79 PSEN1 (0.39) KDM4EALDH1A1HSD17B10PSEN1PSEN2
SCHEMBL3577646 0.79 PSEN1 (0.39) KDM4EALDH1A1HSD17B10PSEN1PSEN2
SCHEMBL16828766 0.78 ALDH1A1 (0.42) KDM4EALDH1A1ALPLPLAAHPGD
SCHEMBL1711629 0.76 PSEN1 (0.39) KDM4EALDH1A1HSD17B10PSEN1PSEN2
SCHEMBL27747749 0.74 CYP2C9 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27582586 0.73 SMN1; SMN2 (0.52) KDM4EALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL12601797 0.72
Sulfuric Acid SCHEMBL242791 0.70 CYP2C9 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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-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
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 KDM4E 1532/4885ALDH1A1 2460/4885HSD17B10 2614/4885

“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.