SCHEMBL12997107

SCHEMBL12997107

CC(C)c1ccc(CCNC(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.49
▸ PRSS1 P07477 3/20 0.49
▸ PRSS2 P07478 3/20 0.49
▸ PRSS3 P35030 3/20 0.49
▸ EPHX1 P07099 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ST14 Q9Y5Y6 2/20 0.45
▸ IDO1 P14902 2/20 0.45
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.42

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 SCHEMBL28482528 0.98 F10 (0.48) F10PRSS1PRSS2PRSS3EPHX1
SCHEMBL18624763 0.87 F10 (0.45) F10PRSS1PRSS2PRSS3EPHX1
SCHEMBL24211854 0.83 F10 (0.50) F10PRSS1PRSS2PRSS3EPHX1
SCHEMBL20077692 0.83 CA12 (0.49) EPHX1LMNAST14IDO1POLB
SCHEMBL8399380 0.82 MEN1 (0.51) ALDH1A1KDM4EIDO1KMT2AL3MBTL1
SCHEMBL6679010 0.82 ST14 (0.50) PRSS1PRSS3ALDH1A1KDM4EST14
SCHEMBL10310202 0.80 NPC1 (0.51) ALDH1A1MAPTLMNAST14IDO1
SCHEMBL10310256 0.80 ST14 (0.49) ALDH1A1LMNAKDM4EST14IDO1
SCHEMBL18401402 0.80 ST14 (0.49) ALDH1A1KDM4EST14IDO1L3MBTL1
SCHEMBL10310268 0.80 IDO1 (0.68) MAPTLMNAST14IDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 — — CN claimed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 — — CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 — — EP disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 — — CN disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 — — US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 — — US disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 — — CN disclosed
US-20150346099-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH WOOLEY KAREN L (US) 2015-12-03 — — US disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 — — WO disclosed
US-20130210156-A1 Uniform, Functionalized, Cross-Linked Nanostructures for Monitoring pH THE TEXAS A&M UNIVERSITY SYSTEM 2013-08-15 — — US disclosed
US-20100311903-A1 Photonic Shell-Core Cross Linked and Functionalized Nanostructures for Biological Applications MALLINCKRODT LLC 2010-12-09 — — 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 (1 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-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 F10 4578/4885PRSS1 4615/4885PRSS2 4802/4885

“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.

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