SCHEMBL11236635

SCHEMBL11236635

Cc1ccc(NC(=N)NC#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KIF11 P52732 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TGM2 P21980 1/20 0.39
ABCC9 O60706 2/20 0.38
KCNJ11 Q14654 2/20 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
SCHEMBL8854243 0.90 ABCC9 (0.40) RAB9AKDM4EPOLBMAPTHTT
SCHEMBL13523189 0.82 GAA (0.43) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL8898313 0.81 SMN1; SMN2 (0.52) TDP1RAB9ANPC1KDM4EPOLB
SCHEMBL678436 0.81 TDP1 (0.56) TDP1RAB9ANPC1KDM4EPOLB
SCHEMBL1108190 0.81 MAPT (0.47) RAB9ANPC1KDM4EPOLBMAPT
SCHEMBL11227303 0.80 NPC1 (0.50) TDP1RAB9ANPC1KDM4EPOLB
SCHEMBL24726744 0.80 CYP1A2 (0.46) RAB9ANPC1KDM4EMAPTTP53
SCHEMBL4259667 0.80 CYP1A2 (0.46) RAB9ANPC1KDM4EMAPTTP53
SCHEMBL18520538 0.80 CYP1A2 (0.46) RAB9ANPC1KDM4EMAPTTP53
SCHEMBL3056662 0.77 TDP1 (0.52) TDP1RAB9ANPC1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263901-A1 Process of Preparation of Proguanil USV LTD. (IN) 2011-10-27 US disclosed
US-20110263901-A1 Process of Preparation of Proguanil USV LTD. (IN) 2011-10-27 US disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 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-20110263901-A1 Process of Preparation of Proguanil GCG, PREP, G6PD TDP1 3906/4885RAB9A 641/4885NPC1 2777/4885

“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.