SCHEMBL19449739

SCHEMBL19449739

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ MAPT P10636 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ FAAH O00519 1/20 0.48
▸ MGLL Q99685 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
Hydrochloric Acid SCHEMBL17560917 0.98 POLB (0.58) POLBHTTKMT2AMEN1CYP1A2
Guanoxabenz SCHEMBL10409620 0.91 POLB (0.55) POLBHTTKMT2AMEN1CYP1A2
Guanoxabenz SCHEMBL122726 0.91 POLB (0.55) POLBHTTKMT2AMEN1CYP1A2
SCHEMBL21226661 0.90 NPSR1 (0.65) POLBHTTKMT2AMEN1CYP1A2
SCHEMBL21538097 0.90 HTT (0.67) POLBHTTKMT2AMEN1CYP1A2
Iodide SCHEMBL21519406 0.88 POLB (0.65) POLBHTTKMT2AMEN1CYP1A2
SCHEMBL21538075 0.85 KMT2A (0.50) POLBHTTKMT2AMEN1CYP1A2
Guanoxabenz SCHEMBL7199677 0.85 POLB (0.50) POLBHTTKMT2AMEN1CYP1A2
Guanabenz SCHEMBL15389 0.85 POLB (0.57) POLBHTTKMT2AMEN1CYP1A2
Guanabenz SCHEMBL6302549 0.85 POLB (0.57) POLBHTTKMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991968-B1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2021-11-10 — — EP disclosed
EP-3188722-B1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-08-04 — — EP disclosed
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2020-04-02 — — US disclosed
US-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2019-03-21 — — US disclosed
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 — — 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 (3 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-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS ELANE, IL1A, IL1B POLB 2422/4885HTT 4128/4885KMT2A 3325/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS POLB 3872/4885HTT 2244/4885KMT2A 2912/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS POLB 3872/4885HTT 2244/4885KMT2A 2912/4885

“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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