SCHEMBL17560971

SCHEMBL17560971

N=C(N)N/N=C/c1ccc(Cl)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAOB P27338 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11877435 1.00 LMNA (0.45) LMNAMAOBMAPTRAB9ACYP1A2
Acetic Acid SCHEMBL21519413 0.92 RAB9A (0.46) LMNAMAOBMAPTRAB9ACYP1A2
SCHEMBL17560756 0.88 LMNA (0.47) LMNAMAOBMAPTRAB9ACYP1A2
SCHEMBL17560757 0.88 LMNA (0.47) LMNAMAOBMAPTRAB9ACYP1A2
Hydrochloric Acid SCHEMBL19434705 0.86 LMNA (0.46) LMNAMAOBMAPTRAB9ACYP1A2
SCHEMBL4100069 0.84 MAPT (0.55) LMNAMAPTRAB9ACYP1A2CYP2C19
SCHEMBL4100068 0.84 MAPT (0.55) LMNAMAPTRAB9ACYP1A2CYP2C19
SCHEMBL31105576 0.84 MAPT (0.58) LMNAMAOBMAPTRAB9ACYP1A2
SCHEMBL17044509 0.84 MAPT (0.58) LMNAMAOBMAPTRAB9ACYP1A2
SCHEMBL17044511 0.84 MAPT (0.58) LMNAMAOBMAPTRAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2017-10-12 US claimed
EP-3188722-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS Neoculi Pty Ltd (AU) 2017-07-12 EP claimed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 WO claimed
EP-3188722-B1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2021-08-04 EP disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 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 (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 LMNA 1901/4885MAOB 1217/4885MAPT 3826/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS LMNA 2337/4885MAOB 1831/4885MAPT 3694/4885

“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.