SCHEMBL19851313

SCHEMBL19851313

C=Cc1ccc(N=NC(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 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
SCHEMBL271587 0.79 ALDH1A1 (0.65) ALDH1A1TSHRHDAC8TDP1MEN1
SCHEMBL271586 0.79 ALDH1A1 (0.65) ALDH1A1TSHRHDAC8TDP1MEN1
SCHEMBL19844937 0.75 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2A
SCHEMBL13074567 0.73 NPC1 (0.43) ALDH1A1TDP1MEN1KMT2A
SCHEMBL19844938 0.72 MAPT (0.46) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL3312607 0.71 ALDH1A1 (0.59) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL28525044 0.71 ALDH1A1 (0.59) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL10030527 0.71 CYP2C9 (0.44) ALDH1A1TDP1MEN1KMT2A
SCHEMBL23691126 0.70 ALDH1A1 (0.55) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL12677158 0.70 ALDH1A1 (0.55) ALDH1A1TSHRTDP1MEN1KMT2A

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-11155568-B2 Bioadhesives NUTECH VENTURES (US) 2021-10-26 — — US disclosed
US-20200095270-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES NUTECH VENTURES 2020-03-26 — — US disclosed
US-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 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 (3 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-11155568-B2 Bioadhesives EPCAM, VCAM1, SELP ALDH1A1 337/4885TSHR 4787/4885HDAC8 4016/4885
US-20200095270-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR ALDH1A1 247/4885TSHR 4844/4885HDAC8 3579/4885
US-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR ALDH1A1 247/4885TSHR 4844/4885HDAC8 3579/4885

“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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