SCHEMBL18725181

SCHEMBL18725181

C=CC=NNC(=N)Nc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.42
▸ POLB P06746 2/20 0.38
▸ CYP1A2 P05177 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ XDH P47989 1/20 0.36
▸ TAS2R38 P59533 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35

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
Benzene SCHEMBL27899223 0.72 HSD17B10 (0.55) POLBTAS2R38SMN1; SMN2CYP3A4TP53
SCHEMBL20163213 0.72 HSD17B10 (0.55) POLBTAS2R38SMN1; SMN2CYP3A4TP53
SCHEMBL35172 0.72 HSD17B10 (0.55) POLBTAS2R38SMN1; SMN2CYP3A4TP53
SCHEMBL1876865 0.71 NOX1 (0.54) TGM2SMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL1876868 0.71 NOX1 (0.54) TGM2SMN1; SMN2TSHRALDH1A1NPC1
SCHEMBL4698601 0.71 MAPT (0.50) POLBCYP1A2NPSR1SMN1; SMN2CYP3A4
SCHEMBL4698606 0.71 MAPT (0.50) POLBCYP1A2NPSR1SMN1; SMN2CYP3A4
SCHEMBL21538075 0.71 KMT2A (0.50) POLBCYP1A2NPSR1SMN1; SMN2CYP3A4
Iodide SCHEMBL21519540 0.70 FAAH (0.49) POLBCYP1A2NPSR1SMN1; SMN2CYP3A4
Fluoride SCHEMBL20815438 0.70 TAS2R38 (0.52) TGM2POLBTAS2R38SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156394-B1 ALKYLIDENE AMINOGANIDINE AND SALT THEREOF, MODIFIER COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-17 — — EP disclosed
US-10173973-B2 Alkylidene aminoguanidine and salt thereof, modifying composition, modified rubber for tire, rubber composition for tire, and tire MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-01-08 — — US disclosed
US-20170129850-A1 ALKYLIDENE AMINOGUANIDINE AND SALT THEREOF, MODIFYING COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-05-11 — — US disclosed
EP-3156394-A1 ALKYLIDENE AMINOGANIDINE AND SALT THEREOF, MODIFIER COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE Mitsubishi Gas Chemical Company, Inc. (JP) 2017-04-19 — — EP 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-20170129850-A1 ALKYLIDENE AMINOGUANIDINE AND SALT THEREOF, MODIFYING COMPOSITION, MODIFIED RUBBER FOR TIRE, RUBBER COMPOSITION FOR TIRE, AND TIRE TAAR1, PRMT9, RASGRP1 TGM2 1255/4885POLB 2313/4885CYP1A2 1588/4885
US-10173973-B2 Alkylidene aminoguanidine and salt thereof, modifying composition, modified rubber for tire, rubber composition for tire, and tire TAAR1, PRMT9, RASGRP1 TGM2 1255/4885POLB 2313/4885CYP1A2 1588/4885

“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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