SCHEMBL21538097

SCHEMBL21538097

CNC(=N)N/N=C/c1c(Cl)cccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.67
▸ POLB P06746 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.56
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ FAAH O00519 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
Iodide SCHEMBL21519406 0.98 POLB (0.65) HTTPOLBNPSR1KMT2AMEN1
SCHEMBL19449739 0.90 POLB (0.60) HTTPOLBNPSR1KMT2AMEN1
Hydrochloric Acid SCHEMBL17560917 0.88 POLB (0.58) HTTPOLBNPSR1KMT2AMEN1
Iodide SCHEMBL21519405 0.88 POLB (0.60) HTTPOLBNPSR1KMT2AMEN1
Guanoxabenz SCHEMBL10409620 0.85 POLB (0.55) HTTPOLBNPSR1KMT2AMEN1
Guanoxabenz SCHEMBL122726 0.85 POLB (0.55) HTTPOLBNPSR1KMT2AMEN1
SCHEMBL21226661 0.84 NPSR1 (0.65) HTTPOLBNPSR1KMT2AMEN1
Guanoxabenz SCHEMBL7199677 0.80 POLB (0.50) HTTPOLBNPSR1KMT2AMEN1
SCHEMBL21538075 0.80 KMT2A (0.50) HTTPOLBNPSR1KMT2AMEN1
Guanabenz SCHEMBL15389 0.79 POLB (0.57) HTTPOLBNPSR1KMT2AMEN1

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-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — 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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR HTT 766/4885POLB 4376/4885NPSR1 82/4885

“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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