SCHEMBL3754787

SCHEMBL3754787

O=C(Nc1[c]cccc1)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
TP53 P04637 1/20 0.63
EPHX1 P07099 1/20 0.63
TSHR P16473 1/20 0.63
EPHX2 P34913 1/20 0.63
CDK9 P50750 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
KMT2A Q03164 7/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
TAAR1 Q96RJ0 3/20 0.52
SIRT1 Q96EB6 1/20 0.50
MAPT P10636 5/20 0.49
MEN1 O00255 5/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.47

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
SCHEMBL9725165 0.90 SMN1; SMN2 (0.44) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL28348692 0.86 NPC1 (0.55) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL10650999 0.86 MEN1 (0.51) SMN1; SMN2EPHX1TSHREPHX2KMT2A
SCHEMBL16568339 0.86 MAOA (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL6033544 0.80 SMN1; SMN2 (0.38) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL133103 0.79 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3996276 0.79 SMN1; SMN2 (0.53) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL3037927 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL28431956 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2
Diphenylurea SCHEMBL30786615 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301464-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2003-04-16 EP claimed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US claimed
WO-2002004403-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-17 WO claimed
EP-3523134-A1 HEAT-SENSITIVE RECORDING MATERIAL Mitsubishi HiTec Paper Europe GmbH (DE) 2019-08-14 EP disclosed
EP-3352991-A1 HEAT-SENSITIVE RECORDING MATERIAL Mitsubishi HiTec Paper Europe GmbH (DE) 2018-08-01 EP disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
US-7329681-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-02-12 US disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
US-20050282876-A1 Ligands for Inosine-5'-monophosphate dehydrogenase; antiviral, antiinflammatory, antibiotics, transplant rejection, autoimmune disease, , antipsoriatic immunosuppressants; 3-uriedo benzyl carbamate derivatives; high potency, side effects reduction; bioavailability; antivascular hyperproliferative VERTEX PHARMACEUTICALS INCORPORATED 2005-12-22 US disclosed
US-6967214-B2 Inhibitors of IMPDH enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-22 US disclosed
EP-1301464-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2003-04-16 EP disclosed
US-6541496-B1 Inosine-5'-monophosphate dehydrogenase inhibitors; merimepodib; hepatitis VERTEX PHARMACEUTICALS INCORPORATED 2003-04-01 US disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 US disclosed
US-6344465-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE; merimepodib; transplant rejection, autoimmune diseases, multiple sclerosis, juvenile diabetes, asthma, inflammatory diseases, lymphoma or leukemia, and hyperproliferative vascular diseases VERTEX PHARMACEUTICALS, INCORPORATED 2002-02-05 US disclosed
WO-2002004403-A1 BIPHENYLCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-01-17 WO 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 SMN1; SMN2 4752/4885TP53 4688/4885EPHX1 1716/4885
US-20050282876-A1 Ligands for Inosine-5'-monophosphate dehydrogenase; antiviral, antiinflammatory, antibiotics, transplant rejection, autoimmune disease, , antipsoriatic immunosuppressants; 3-uriedo benzyl carbamate derivatives; high potency, side effects reduction; bioavailability; antivascular hyperproliferative IMPDH1, IMPDH2, UMPS SMN1; SMN2 4822/4885TP53 3267/4885EPHX1 2114/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA SMN1; SMN2 1864/4885TP53 895/4885EPHX1 3043/4885

“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.