SCHEMBL3735701

SCHEMBL3735701

[NH]C(=O)CSc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.47
NPY5R Q15761 1/20 0.45
KDM4E B2RXH2 1/20 0.45
FFAR1 O14842 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DDAH1 O94760 1/20 0.41
NOS1 P29475 1/20 0.41
MIF P14174 1/20 0.41
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39

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
SCHEMBL147071 0.81 FFAR1 (0.65) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL11442961 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL19604046 0.79 ALDH1A1 (0.49) ALDH1A1LMNAHTTHSD17B10PKM
Hydrochloric Acid SCHEMBL1376065 0.79 FFAR1 (0.63) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL7421131 0.79 ALDH1A1 (0.49) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL13113137 0.79 PKM (0.51) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL3735703 0.79 SMN1; SMN2 (0.60) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL1170309 0.78 FFAR1 (0.68) ALDH1A1LMNAHTTHSD17B10FFAR1
Hydrochloric Acid SCHEMBL11299977 0.78 ALDH1A1 (0.47) ALDH1A1LMNAHTTHSD17B10PKM
SCHEMBL10971632 0.77 CA2 (0.47) ALDH1A1HSD17B10PKMFFAR1MEN1

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525057-B1 ANTIMICROBIAL QUINOLONYL LACTAMS PROCTER & GAMBLE PHARMA (US) 2000-06-14 EP claimed
EP-0379048-B1 Beta-lactamase assays employing chromogenic precipitating substrates ABBOTT LAB (US) 1995-09-13 EP claimed
US-4978613-A Beta-lactamase assay employing chromogenic precipitating substrates ABBOTT LABORATORIES (US) 1990-12-18 US claimed
EP-0379048-A2 Beta-lactamase assays employing chromogenic precipitating substrates ABBOTT LABORATORIES (US) 1990-07-25 EP claimed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP disclosed
US-4068073-A BACTERICIDES SMITHKLINE CORPORATION (US) 1978-01-10 US disclosed
US-4066761-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-03 US disclosed
US-4059591-A Ureidoalkyl substituted tetrazole thiol intermediates for preparing cephalosporins SMITHKLINE CORPORATION (US) 1977-11-22 US disclosed
US-4057631-A CEPHALOSPORINS, BACTERICIDE SMITHKLINE CORPORATION (US) 1977-11-08 US disclosed
US-4048311-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-09-13 US disclosed
US-4041162-A ANTIBIOTICS, BACTERICIDES SMITHKLINE CORPORATION (US) 1977-08-09 US disclosed
US-4034092-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-07-05 US disclosed
US-4025626-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1977-05-24 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 (3 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885LMNA 2899/4885HTT 4361/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 ALDH1A1 876/4885LMNA 2190/4885HTT 4880/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 ALDH1A1 1605/4885LMNA 2899/4885HTT 4361/4885

“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.