SCHEMBL1833672

SCHEMBL1833672

O=CNN(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP2A6 P11509 1/20 0.36
HTT P42858 1/20 0.36
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL7574843 0.80 ALDH1A1 (0.42) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL6542102 0.76 HTT (0.43) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL11750520 0.75 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2HTTTAAR1
SCHEMBL29118486 0.71 KMT2A (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL10535478 0.70 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL31413696 0.69 KMT2A (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL3630932 0.69 USP2 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL6503492 0.65 ADH1B (0.48) ALDH1A1ADH1BADH1CADH1AADH7
SCHEMBL7978097 0.65 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1ALOX15
SCHEMBL11008346 0.65 KMT2A (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402595-B2 Enzyme inhibitors with isoquinolinone structures TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-22 US claimed
US-11685681-B2 Method for treatment of mixed electroplating wasterwater without cyanide and phosphorus-containing reductant GUANGZHOU ULTRA UNION CHEMICALS LTD (CN) 2023-06-27 US disclosed
US-20210380455-A1 METHOD FOR TREATMENT OF MIXED ELECTROPLATING WASTERWATER WITHOUT CYANIDE AND PHOSPHORUS-CONTAINING REDUCTANT GUANGZHOU ULTRA UNION CHEMICALS LTD (CN) 2021-12-09 US disclosed
US-11136254-B2 Method for integrated treatment of electroplating wasterwater GUANGZHOU ULTRA UNION CHEMICALS LTD. (CN) 2021-10-05 US disclosed
CN-213724925-U Crystallization kettle for producing carbazide 潍坊裕凯化工有限公司 2021-07-20 CN disclosed
CN-213644549-U Centrifuge is used in carbazide production 潍坊裕凯化工有限公司 2021-07-09 CN disclosed
US-20200048125-A1 METHOD FOR INTEGRATED TREATMENT OF ELECTROPLATING WASTERWATER GUANGZHOU ULTRA UNION CHEMICALS LTD (CN) 2020-02-13 US disclosed
US-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-24 US disclosed
US-20110136788-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-09 US disclosed
EP-2322222-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME Takeda Pharmaceutical Company Limited (JP) 2011-05-18 EP disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 EP disclosed
EP-0394563-B1 Cyan dyes in dye-donor elements for thermal dye transfer AGFA GEVAERT NV (BE) 1994-03-09 EP disclosed
US-5114975-A Insecticides and miticides CIBA-GEIGY CORPORATION (US) 1992-05-19 US disclosed
EP-0304402-B1 ANILINOPHENYL THIOUREAS, ISOTHIOUREAS AND CARBODIIMIDES, THEIR PREPARATION AND THEIR USE IN PEST-CONTROL CIBA-GEIGY AG (CH) 1992-05-06 EP disclosed
US-5026730-A Anilinophenylthioureas, compositions containing them, and the use thereof in pest control CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed
US-5021393-A Stable quinonediimine dyes AGFA-GEVAERT, N.V. (BE) 1991-06-04 US disclosed
EP-0394563-A1 Cyan dyes in dye-donor elements for thermal dye transfer AGFA-GEVAERT N.V. (BE) 1990-10-31 EP disclosed
EP-0304402-A2 Anilinophenyl thioureas, isothioureas and carbodiimides, their preparation and their use in pest-control CIBA-GEIGY AG (CH) 1989-02-22 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 (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-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 ALDH1A1 4549/4885ADH1B 3912/4885ADH1C 1623/4885
US-20110136788-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR ALDH1A1 2996/4885ADH1B 2729/4885ADH1C 2826/4885
US-20130281435-A1 THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME GPBAR1, GPR35, GRPR ALDH1A1 3137/4885ADH1B 2620/4885ADH1C 2732/4885

“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.