SCHEMBL19852567

SCHEMBL19852567

CN(CCO)Cc1cccc(C(C)(C)CCNCc2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.42
▸ BACE1 P56817 4/20 0.42
▸ TMEM97 Q5BJF2 3/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ACKR3 P25106 1/20 0.36
▸ GSR P00390 2/20 0.36
▸ PDCD1 Q15116 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL16562304 0.84 MEN1 (0.49) TMEM97SIGMAR1MEN1KMT2AACKR3
SCHEMBL13918962 0.77 BCHE (0.54) BCHEBACE1MEN1KMT2AGSR
SCHEMBL13154916 0.75 BCHE (0.49) BCHEBACE1SIGMAR1MEN1KMT2A
SCHEMBL16559754 0.72 SIGMAR1 (0.40) BCHETMEM97SIGMAR1MEN1KMT2A
SCHEMBL13918966 0.72 ALDH1A1 (0.47) TMEM97SIGMAR1MEN1KMT2AHIF1A
SCHEMBL13166771 0.69 BCHE (0.51) BCHEBACE1MEN1KMT2ASCN8A
SCHEMBL13336035 0.68 KDM4E (0.43) BCHETMEM97SIGMAR1HIF1AKDM4E
SCHEMBL31638054 0.67 SIGMAR1 (0.60) BCHESIGMAR1MEN1KMT2APDCD1
SCHEMBL17664610 0.67 BCHE (0.51) BCHEBACE1SIGMAR1SCN8A
SCHEMBL13166761 0.67 BCHE (0.49) BCHEBACE1MEN1KMT2ASCN8A

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-20180037573-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — US disclosed
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — 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 (2 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-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 BCHE 1377/4885BACE1 3251/4885TMEM97 2372/4885
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 BCHE 1377/4885BACE1 3251/4885TMEM97 2372/4885

“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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