SCHEMBL21519625

SCHEMBL21519625

[H]/N=C(\N)NN=Cc1c(N)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40

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
Guanabenz SCHEMBL31129061 0.91 POLB (0.53) POLBHTTNPSR1KMT2AMEN1
SCHEMBL21519622 0.90 HTT (0.48) POLBHTTNPSR1KMT2AMEN1
Guanabenz SCHEMBL21519448 0.86 CYP1A2 (0.49) POLBHTTNPSR1KMT2AMEN1
Guanabenz SCHEMBL21519579 0.80 KMT2A (0.47) POLBHTTNPSR1KMT2AMEN1
Guanabenz SCHEMBL6302549 0.80 POLB (0.57) POLBHTTNPSR1KMT2AMEN1
Guanabenz SCHEMBL4103258 0.80 POLB (0.57) POLBHTTNPSR1KMT2AMEN1
Guanabenz SCHEMBL15389 0.80 POLB (0.57) POLBHTTNPSR1KMT2AMEN1
Acetic Acid SCHEMBL21519641 0.79 NPSR1 (0.53) POLBHTTNPSR1KMT2AMEN1
Acetic Acid SCHEMBL21519631 0.79 KDM1A (0.49) POLBHTTNPSR1KMT2AMEN1
Guanabenz SCHEMBL22616213 0.79 POLB (0.55) POLBHTTNPSR1KMT2AMEN1

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-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 — — US disclosed
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 (2 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 POLB 4376/4885HTT 766/4885NPSR1 82/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR POLB 4376/4885HTT 766/4885NPSR1 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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