SCHEMBL22506820

SCHEMBL22506820

Nn1c2c(c3ccccc31)CCN=C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ MAOA P21397 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ NOS2 P35228 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
SCHEMBL9881115 0.80 ACHE (0.46) ACHEHTR2AHTR2CMAOACYP1A2
SCHEMBL6651167 0.73 SMN1; SMN2 (0.40) CA1CA2MAOAKDM4EALOX15
SCHEMBL12957802 0.71 ACHE (0.32) ACHECA1CA2HTR2AHTR2C
SCHEMBL27271283 0.65 HTR2A (0.33) ACHEHTR2AHTR2CHTR6MAOA
SCHEMBL8572018 0.65 CA1 (0.57) CA1CA2HTR2AHTR2CHTR6
SCHEMBL257566 0.64 GPR3 (0.52) HTR6CYP1A2CYP2D6KDM4EMAPK1
SCHEMBL24611521 0.63 GPR3 (0.31) HTR2AHTR2CMAOACYP1A2CYP2D6
SCHEMBL21538077 0.63 CA1 (0.58) CA1CA2HTR2AHTR2CHTR6
SCHEMBL20468978 0.63 CA1 (0.58) CA1CA2HTR2AHTR2CHTR6
SCHEMBL14432952 0.60 HTR6 (0.56) HTR2AHTR2CHTR6KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 — — 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 (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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB ACHE 914/4885CA1 3881/4885CA2 4674/4885

“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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