SCHEMBL3605680

SCHEMBL3605680

N#CCc1cccc(C(=O)NNC(=O)c2ccc(F)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
GUSB P08236 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CXCR2 P25025 1/20 0.39
ROCK2 O75116 1/20 0.39
ADRB1 P08588 1/20 0.38
MMP3 P08254 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC1 Q13547 1/20 0.38
VNN1 O95497 2/20 0.37
SMPD1 P17405 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3613882 0.81 VNN1 (0.49) VNN1
SCHEMBL3603838 0.81 HDAC1 (0.55) SMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL3617557 0.74 ALDH1A1 (0.54) GUSBSMN1; SMN2ROCK2MMP3NPC1
SCHEMBL3617982 0.73 MAOA (0.52) EPHX2KCNQ3KCNQ2ADRB1NPC1
SCHEMBL5437219 0.73 SLC7A5 (0.55) GUSBMMP3
SCHEMBL3613538 0.71 MAOA (0.51) EPHX2KCNQ3KCNQ2SMN1; SMN2RAB9A
SCHEMBL3616687 0.70 TDP1 (0.52) KCNQ3KCNQ2SMN1; SMN2NPC1RAB9A
SCHEMBL7452982 0.70 CYP11B2 (0.42) MMP3KDM4E
SCHEMBL2705263 0.69 FOLH1 (0.59) MMP3
SCHEMBL29471974 0.69 FOLH1 (0.59) MMP3

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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 EPHX2 2838/4885GUSB 638/4885KCNQ3 4737/4885
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 EPHX2 2478/4885GUSB 4551/4885KCNQ3 866/4885

“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.