SCHEMBL4077825

SCHEMBL4077825

C[C@]1(c2cc([N+](=O)[O-])ccc2F)N=C(NC(=O)c2ccccc2)SCC1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
EPHX1 P07099 1/20 0.38
CYP19A1 P11511 1/20 0.37
NTRK1 P04629 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CCR5 P51681 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP5 Q96HI0 1/20 0.36
SENP2 Q9HC62 1/20 0.36
SENP1 Q9P0U3 1/20 0.36

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
SCHEMBL15177655 0.89 IRAK4 (0.37) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4083671 0.88 LMNA (0.36) MEN1KMT2AMAPTLMNACYP19A1
SCHEMBL10295531 0.85 NPC1 (0.44) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4074644 0.83 BACE1 (0.42) MEN1KMT2AMAPTCYP19A1BACE1
SCHEMBL4077834 0.76 BACE1 (0.38) BACE1BACE2
SCHEMBL4083233 0.76 WDR5 (0.43) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4077552 0.75 BACE1 (0.45) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL15177656 0.75 POLB (0.37) MEN1KMT2AMAPTLMNABACE1
SCHEMBL13474639 0.74 KMT2A (0.39) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL4083479 0.74 BACE1 (0.44) MEN1KMT2AMAPTLMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 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-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 MEN1 2162/4885KMT2A 939/4885MAPT 80/4885

“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.