SCHEMBL3318352

SCHEMBL3318352

COc1ccc(C(N)=O)cc1N.NC(=O)c1ccc(Cl)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.63
HTT P42858 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
TUBA1C Q9BQE3 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54
TUBB1 Q9H4B7 1/20 0.54
MAPK1 P28482 1/20 0.51

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
SCHEMBL30217617 0.90 ALDH1A1 (0.76) ALDH1A1LMNAHTTL3MBTL1TUBB4A
SCHEMBL761126 0.90 ALDH1A1 (0.76) ALDH1A1LMNAHTTL3MBTL1TUBB4A
Hydrochloric Acid SCHEMBL11427585 0.89 ALDH1A1 (0.73) ALDH1A1LMNAHTTL3MBTL1TUBB4A
SCHEMBL1808714 0.85 KDM4E (0.51) ALDH1A1LMNAKDM4ETSHRGAA
SCHEMBL2762379 0.82 MAPK1 (0.58) LMNAHTTMAPK1PDE4DCYP3A4
SCHEMBL1719761 0.82 MAPK1 (0.58) ALDH1A1LMNAHTTMAPK1CYP3A4
SCHEMBL5693892 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1KDM4ECYP3A4
SCHEMBL8302036 0.78 ALDH1A1 (0.73) ALDH1A1LMNAHTTL3MBTL1TUBB4A
SCHEMBL18093627 0.78 ALDH1A1 (0.73) ALDH1A1LMNAHTTL3MBTL1TUBB4A
SCHEMBL310457 0.78 ALDH1A1 (1.00) ALDH1A1LMNAHTTL3MBTL1TUBB4A

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-7807738-B2 Compound for color-producing composition, and recording material CHEMIPRO KASEI KAISHA, LTD. (JP) 2010-10-05 US disclosed
US-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL KABASHIMA KAZUO 2010-04-29 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-20100105941-A1 NOVEL COMPOUND FOR COLOR-PRODUCING COMPOSITION, AND RECORDING MATERIAL UMPS, UROD, UGP2 ALDH1A1 147/4885LMNA 1474/4885HTT 3102/4885

“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.