SCHEMBL21538075

SCHEMBL21538075

N=C(N/N=C/c1c(Cl)cccc1Cl)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ FAAH O00519 1/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ GRK2 P25098 2/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPY1R P25929 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 SCHEMBL21519540 0.98 FAAH (0.49) KMT2AMEN1NPC1RAB9ALMNA
Iodide SCHEMBL21519538 0.89 FAAH (0.46) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL19449739 0.85 POLB (0.60) KMT2AMEN1NPC1RAB9ANPSR1
Hydrochloric Acid SCHEMBL17560917 0.84 POLB (0.58) KMT2AMEN1NPC1RAB9ANPSR1
Guanoxabenz SCHEMBL10409620 0.81 POLB (0.55) KMT2AMEN1NPC1RAB9ANPSR1
Guanoxabenz SCHEMBL122726 0.81 POLB (0.55) KMT2AMEN1NPC1RAB9ANPSR1
SCHEMBL21538097 0.80 HTT (0.67) KMT2AMEN1NPC1RAB9ANPSR1
SCHEMBL11582865 0.78 CYP1A2 (0.68) KMT2AMEN1NPC1LMNAHTT
SCHEMBL11582862 0.78 CYP1A2 (0.68) KMT2AMEN1NPC1LMNAHTT
Iodide SCHEMBL21519406 0.78 POLB (0.65) KMT2AMEN1NPC1RAB9ANPSR1

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 KMT2A 3083/4885MEN1 4058/4885NPC1 2389/4885

“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.

Send feedback