SCHEMBL1740163

SCHEMBL1740163

N=C(N)NC(=N)NN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
LIPE Q05469 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
Hydrochloric Acid SCHEMBL19371425 0.98 CA12 (0.42) CA12CA1CA2CA9LMNA
SCHEMBL3076681 0.85
SCHEMBL28803313 0.85
SCHEMBL4981455 0.83 CA12 (0.56) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL27505323 0.81 CA12 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL28170308 0.81 F2 (0.36)
Hydrochloric Acid SCHEMBL22372381 0.79 F2 (0.34)
SCHEMBL2947032 0.79 CA12 (0.47) CA12CA1CA2CA9LMNA
SCHEMBL28170293 0.78 GNAI3 (0.34)
Hydrochloric Acid SCHEMBL22372399 0.78 F2 (0.38) LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 US claimed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 US claimed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 US claimed
EP-3222614-A2 BIGUANIDE COMPOUND AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-09-27 EP claimed
CN-100335427-C Oxygen scavenger and boiler water treatment chemical KURITA KOGYO K K (JP) 2007-09-05 CN claimed
US-6861032-B2 Adding to boiler water an oxygen scavenger including, as an effective component, a heterocyclic compound with N-substituted amino group, or the salt thereof, and alkaline agent and/or water soluble polymer KURITA WATER INDUSTRIES LTD. (JP) 2005-03-01 US claimed
CN-1557747-A Oxygen scavenger and boiler water treatment chemical ���﹤ҵ��ʽ���� 2004-12-29 CN claimed
US-20030141483-A1 Adding to boiler water an oxygen scavenger including, as an effective component, a heterocyclic compound with N-substituted amino group, or the salt thereof, and alkaline agent and/or water soluble polymer SHIMURA YUKIMASA (JP) 2003-07-31 US claimed
US-6540923-B2 For adding to boiler feed water; useful in inhibiting the corrosion in a boiler system by removing dissolved oxygen KURITA WATER INDUSTRIES LTD. (JP) 2003-04-01 US claimed
CN-1389411-A Oxygen scavenger and boiler water treatment chemical KURITA KOGYO K K (JP) 2003-01-08 CN claimed
US-20020100896-A1 For adding to boiler feed water; useful in inhibiting the corrosion in a boiler system by removing dissolved oxygen KURITA WATER INDUSTRIES LTD. 2002-08-01 US claimed
US-20020046976-A1 Heterocyclic compound with N-substituted amino group or its salt, and an alkaline agent and/or water soluble polymer SHIMURA YUKIMASA (JP) 2002-04-25 US claimed
US-6346206-B1 CHEMICAL COMPRISING HETEROCYCLIC COMPOUND SELECTED FROM 1-AMINOPYRROLIDINE, 1,4-DIAMINOPIPERAZINE, 1-AMINOPIPERIDINE, 1-AMINOHOMOPIPERIDINE, MORPHOLINOBIGUANIDE AND WATER SOLUBLE SALTS THEREOF, AND NEUTRAL AMINE KURITA WATER INDUSTRIES LTD. (JP) 2002-02-12 US claimed
CN-1187471-A Oxygen scavenger and boiler water treatment chemical KURITA WATER IND LTD (JP) 1998-07-15 CN claimed
EP-0845438-A1 Oxygen scavenger and boiler water treatment chemical KURITA WATER INDUSTRIES LTD. (JP) 1998-06-03 EP claimed
EP-4692247-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2026-02-11 EP disclosed
US-20260022211-A1 CURABLE COMPOSITION KANEKA CORPORATION (JP) 2026-01-22 US disclosed
US-5989440-A DEOXYGENATION OF BOILER WATER WITH AN AMINO SUBSTITUTED NITROGEN HETEROCYCLE COMPOUND OR WATER SOLUBLE ORGANIC SALT THEREOF TO INHIBIT BY-PRODUCT FORMATION AND BOILER CORROSION KURITA WATER INDUSTRIES LTD. (JP) 1999-11-23 US disclosed
CN-1187471-A Oxygen scavenger and boiler water treatment chemical KURITA WATER IND LTD (JP) 1998-07-15 CN disclosed
EP-0845438-A1 Oxygen scavenger and boiler water treatment chemical KURITA WATER INDUSTRIES LTD. (JP) 1998-06-03 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 (4 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-10626085-B2 Biguanide compound and use thereof MKI67, GCG, GCKR CA12 2765/4885CA1 2719/4885CA2 2929/4885
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR CA12 2765/4885CA1 2719/4885CA2 2929/4885
US-20260022211-A1 CURABLE COMPOSITION H1-4, H1-0, H1-2 CA12 710/4885CA1 405/4885CA2 1656/4885
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR CA12 2765/4885CA1 2719/4885CA2 2929/4885

“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.