SCHEMBL3610173

SCHEMBL3610173

Cc1nc(NC(=N)N)sc1C(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAPT P10636 7/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
NR1H4 Q96RI1 1/20 0.57
KMT2A Q03164 8/20 0.56
PKM P14618 1/20 0.56
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 6/20 0.53
POLB P06746 2/20 0.53
CLK1 P49759 1/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 4/20 0.52

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
SCHEMBL7143661 0.92 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL3606993 0.86 KMT2A (0.54) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL7146957 0.82 ITGB3 (0.55) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7140471 0.81 ITGB3 (0.55) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL7136945 0.81 KIFC1 (0.47) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL7140602 0.81 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL8182236 0.81 SCN3A (0.49) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL6881528 0.81 MEN1 (0.62) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL7143448 0.81 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4
SCHEMBL7145262 0.80 KIFC1 (0.49) ALDH1A1SMN1; SMN2HTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 ALDH1A1 1400/4885SMN1; SMN2 3186/4885HTT 3020/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ALDH1A1 1302/4885SMN1; SMN2 96/4885HTT 105/4885

“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.