SCHEMBL3207054

SCHEMBL3207054

COc1ccccc1CN1Cc2ccccc2N=C1N1CC[N+](C(=O)[O-])(C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 2/20 0.34
GRIN2B Q13224 1/20 0.34
CYP2D6 P10635 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
BRD4 O60885 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL15914294 0.92 MEN1 (0.39) MEN1KMT2AALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL3198684 0.87 HTR6 (0.37) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL4717253 0.80 HTR6 (0.44) GRIN2BDRD2DRD4
Fumaric Acid SCHEMBL3220918 0.78 HTR1A (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
Fumaric Acid SCHEMBL3220938 0.78 HTR1A (0.42) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL3220411 0.78 GNAI3 (0.47) ALDH1A1KDM4ECYP2D6DRD2
SCHEMBL3207059 0.76 KMT2A (0.38) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL4714296 0.75 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EMAPK1
Fumaric Acid SCHEMBL3221286 0.75 KDM4E (0.48) MEN1KMT2AALDH1A1KDM4EHTT
Fumaric Acid SCHEMBL3221298 0.75 KDM4E (0.48) MEN1KMT2AALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 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-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MEN1 2777/4885KMT2A 3808/4885ALDH1A1 1897/4885

“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.