SCHEMBL27110893

SCHEMBL27110893

c1ccc(N(c2cccc3ccccc23)c2cccc3[nH]ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.40
AHR P35869 2/20 0.40
TRPA1 O75762 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
ADK P55263 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PARP1 P09874 1/20 0.36
RHEB Q15382 1/20 0.36

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
SCHEMBL27110875 0.90 AHR (0.45) SIGMAR1AHRTRPA1CA1CA2
SCHEMBL27110796 0.89 AHR (0.46) AHRTRPA1CA1CA2ITGB2
SCHEMBL292397 0.83 SIGMAR1 (0.51) SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL30799092 0.83 SIGMAR1 (0.51) SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL30736014 0.81 SIGMAR1 (0.50) SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL76828 0.81 SIGMAR1 (0.50) SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL29527814 0.81 SIGMAR1 (0.50) SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL2362015 0.81 SIGMAR1 (0.50) SIGMAR1ALDH1A1TDP1L3MBTL1
SCHEMBL13720893 0.79 SIGMAR1 (0.49) SIGMAR1MEN1ALDH1A1KMT2ATDP1
SCHEMBL13250555 0.79 SIGMAR1 (0.49) SIGMAR1ALDH1A1TDP1L3MBTL1

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-20240067667-A1 ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-02-29 US disclosed
US-20240067667-A1 ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-02-29 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-20240067667-A1 ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE ORC3, OR10J3, ESR1 SIGMAR1 884/4885AHR 1358/4885TRPA1 23/4885

“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.