SCHEMBL11528815

SCHEMBL11528815

CNC(=S)N(C)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.58
TAAR1 Q96RJ0 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
AOC3 Q16853 1/20 0.48
SIGMAR1 Q99720 3/20 0.46
NPY5R Q15761 1/20 0.46
HTT P42858 1/20 0.45
MGLL Q99685 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MLYCD O95822 1/20 0.43

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
SCHEMBL11527982 0.83 ABCC1 (0.56) ABCC1TAAR1L3MBTL1AOC3SIGMAR1
SCHEMBL11528266 0.81 CA12 (0.59) ABCC1L3MBTL1LMNAMGLLCA12
SCHEMBL7670527 0.81 CHRNA7 (0.59) L3MBTL1HTT
SCHEMBL7226798 0.78 AOC3 (0.57) ABCC1TAAR1AOC3SIGMAR1NPY5R
SCHEMBL28128867 0.77 ABCC1 (0.50) ABCC1TAAR1L3MBTL1LMNAAOC3
SCHEMBL9732899 0.76 KDM4E (0.53) ABCC1LMNAHTT
SCHEMBL2796515 0.75 TAAR1 (0.52) ABCC1TAAR1AOC3SIGMAR1NPY5R
SCHEMBL14868329 0.73 TAAR1 (0.46) ABCC1TAAR1AOC3SIGMAR1NPY5R
SCHEMBL1520363 0.73 KMT2A (0.59) ABCC1TAAR1AOC3NPY5RCA12
SCHEMBL12133489 0.72 LTB4R (0.52) ABCC1TAAR1L3MBTL1AOC3NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-11465989-B2 Guanidine compounds and use thereof ImmunoMet Therapeutics, Inc. (US) 2022-10-11 US disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP 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
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 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 (2 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-11465989-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 ABCC1 614/4885TAAR1 4576/4885L3MBTL1 2820/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 ABCC1 614/4885TAAR1 4576/4885L3MBTL1 2820/4885

“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.