SCHEMBL18624768

SCHEMBL18624768

N=C(N)NC(=N)NCCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
IDO1 P14902 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM1A O60341 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C8 P10632 1/20 0.44

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
Phenformin SCHEMBL8424 0.97 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAGAA
Phenformin SCHEMBL12487086 0.97 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNAGAA
Phenformin SCHEMBL210008 0.95 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAGAA
Phenformin SCHEMBL3487197 0.95 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAGAA
Phenformin SCHEMBL1560339 0.95 RAB9A (0.50) NPC1RAB9ASMN1; SMN2LMNAGAA
Phenformin SCHEMBL15669213 0.95 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAGAA
Phenformin SCHEMBL28415756 0.89 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL7838315 0.87 L3MBTL1 (0.51) NPC1RAB9AGAATAAR1CYP2D6
Phenformin SCHEMBL11691594 0.86 MEN1 (0.47) NPC1RAB9ASMN1; SMN2TAAR1CA12
Phenformin SCHEMBL11697477 0.86 MEN1 (0.47) NPC1RAB9ASMN1; SMN2TAAR1CA12

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 NPC1 1592/4885RAB9A 2328/4885SMN1; SMN2 1943/4885

“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.