SCHEMBL17560748

SCHEMBL17560748

NC(=O)N/N=C/c1ccccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GRIN2D O15399 2/20 0.53
GRIN3B O60391 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2B Q13224 2/20 0.53
GRIN2C Q14957 2/20 0.53
GRIN3A Q8TCU5 2/20 0.53
FAAH O00519 1/20 0.52
MGLL Q99685 1/20 0.52

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
SCHEMBL17560750 1.00 NPC1 (0.61) NPC1RAB9AMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL21519598 0.98 NPC1 (0.60) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL20834535 0.86 DUSP3 (0.66) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL17560977 0.86 DUSP3 (0.66) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL5460773 0.83 NPC1 (0.55) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL20465004 0.83 NPC1 (0.55) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL5460775 0.83 NPC1 (0.55) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL3691050 0.83 KDM4E (0.68) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL3691048 0.83 KDM4E (0.68) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL30913080 0.83 NPC1 (0.55) NPC1RAB9AMAPTLMNAALDH1A1

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 9 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-3960729-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS Neoculi Pty Ltd (AU) 2022-03-02 EP disclosed
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-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 (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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR NPC1 2389/4885RAB9A 497/4885MAPT 3826/4885
US-20170291886-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS NPC1 282/4885RAB9A 3198/4885MAPT 3694/4885
US-20200102287-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS DPM1, ABCB11, PIGS NPC1 282/4885RAB9A 3198/4885MAPT 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.