SCHEMBL10285117

SCHEMBL10285117

CC1CCN(C(=S)NN)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
PHGDH O43175 1/20 0.52
MGLL Q99685 1/20 0.52
ALDH1A1 P00352 9/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 3/20 0.43
RECQL P46063 2/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4352131 0.80 MAPT (0.45) POLBALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL4358273 0.75 KMT2A (0.37) POLBPHGDHMGLLALDH1A1SMN1; SMN2
SCHEMBL14603071 0.75 PHGDH (0.58) POLBPHGDHMGLLALDH1A1SMN1; SMN2
SCHEMBL14008719 0.74 ALDH1A1 (0.53) POLBPHGDHMGLLALDH1A1SMN1; SMN2
SCHEMBL3121400 0.74
SCHEMBL314887 0.74 SMN1; SMN2 (0.54) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL733373 0.73 MGLL (0.48) POLBPHGDHMGLLALDH1A1SMN1; SMN2
SCHEMBL28288402 0.72 PHGDH (0.41) POLBPHGDHMGLLALDH1A1SMN1; SMN2
SCHEMBL18476930 0.72 KMT2A (0.53) POLBPHGDHMGLLALDH1A1HPGD
SCHEMBL7807863 0.72 CA1 (0.46) POLBPHGDHMGLLALDH1A1SMN1; SMN2

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-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-06 US disclosed
US-4940790-A ANTIINFLAMMATORY AGENTS FOR RHEUMATIC DIORDERS AND PAIN HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-10 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-20090198060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, MPL, IL1RN POLB 4263/4885PHGDH 2354/4885MGLL 4121/4885

“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.