SCHEMBL18624769

SCHEMBL18624769

N=C(N)NC(=N)NCc1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
TAAR1 Q96RJ0 2/20 0.42
IDO1 P14902 3/20 0.41
P2RX7 Q99572 7/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7625975 0.87 NPC1 (0.54) TAAR1IDO1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30496764 0.85 IDO1 (0.45) PNMTTAAR1IDO1P2RX7NPC1
SCHEMBL8380160 0.77 NPC1 (0.53) PNMTTAAR1P2RX7NPC1RAB9A
SCHEMBL27580277 0.77 PNMT (0.52) PNMTTAAR1IDO1P2RX7NPC1
SCHEMBL14868461 0.76 PIM1 (0.38) CYP2D6LMNA
SCHEMBL13779452 0.76 MTNR1A (0.53) GAAHTT
Hydrochloric Acid SCHEMBL27580243 0.76 PNMT (0.50) PNMTTAAR1IDO1P2RX7NPC1
SCHEMBL14868788 0.75 TAAR1 (0.49) TAAR1IDO1P2RX7NPC1RAB9A
SCHEMBL9843530 0.75 HTT (0.50) IDO1NPC1RAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL28489223 0.75 MTNR1A (0.51) GAAHTT

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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 PNMT 545/4885TAAR1 4576/4885IDO1 2222/4885

“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.