SCHEMBL2107571

SCHEMBL2107571

C=CCN(CC=C)N(CC)CC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL26348337 0.90 TSHR (0.35) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL11070461 0.83 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL7177724 0.83 ALDH1A1 (0.35) TSHRALDH1A1
Hydrochloric Acid SCHEMBL7717766 0.79 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL26874945 0.78 CYP1A2 (0.31) ALDH1A1
SCHEMBL251491 0.78
SCHEMBL11575083 0.78
SCHEMBL516030 0.78
SCHEMBL14877073 0.77 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL26348407 0.76 TSHR (0.38) MEN1POLBKMT2ATSHRALDH1A1

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
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 US disclosed
US-5814658-A Taxoids, their preparation and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1998-09-29 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-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA1 MEN1 3396/4885POLB 4480/4885KMT2A 2391/4885

“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.