SCHEMBL1807991

SCHEMBL1807991

[NH]c1cc(C(N)=O)cc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DHODH Q02127 3/20 0.42
▸ PARP1 P09874 7/20 0.42
▸ TSHR P16473 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ F2 P00734 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ PRSS3 P35030 1/20 0.39
▸ ST14 Q9Y5Y6 1/20 0.39
▸ PARP10 Q53GL7 2/20 0.37

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
SCHEMBL813450 0.85 PARP1 (0.53) CYP3A4SMN1; SMN2DHODHPARP1TSHR
SCHEMBL915894 0.75 PARP1 (0.59) CYP3A4PARP1TSHRPOLBMAPT
Ethylene Glycol SCHEMBL28673949 0.74 CYP3A4 (0.44) CYP3A4SMN1; SMN2DHODHPARP1TSHR
SCHEMBL8366010 0.74 DHODH (0.65) CYP3A4SMN1; SMN2DHODHPARP1TSHR
SCHEMBL344324 0.74 CA12 (0.50) SMN1; SMN2TSHRMAPTHSD17B10TDP1
SCHEMBL1807480 0.74 PARP1 (0.58) CYP3A4SMN1; SMN2DHODHPARP1TSHR
SCHEMBL1807478 0.74 CYP3A4 (0.44) CYP3A4SMN1; SMN2DHODHPARP1TSHR
SCHEMBL1498158 0.74 DHODH (0.65) CYP3A4SMN1; SMN2DHODHPARP1TSHR
SCHEMBL31601062 0.74 DHODH (0.48) CYP3A4SMN1; SMN2DHODHPARP1TSHR
SCHEMBL1807992 0.74 KDM4E (0.46) CYP3A4SMN1; SMN2DHODHPARP1TSHR

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-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 — — US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 — — 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 CYP3A4 1680/4885SMN1; SMN2 1683/4885DHODH 3175/4885

“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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