SCHEMBL7967903

SCHEMBL7967903

N=C(N)NC(=N)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 3/20 0.48
IDO1 P14902 2/20 0.48
MAPK1 P28482 1/20 0.47
METAP2 P50579 7/20 0.46
METAP1 P53582 4/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL7968560 0.99 CNR1 (0.50) CNR1ALDH1A1HPGDHTTIDO1
SCHEMBL10310231 0.88 CNR1 (0.56) CNR1ALDH1A1HPGDHTTIDO1
SCHEMBL9843530 0.85 HTT (0.50) ALDH1A1HPGDHTTIDO1MAPK1
SCHEMBL17198925 0.82 CNR1 (0.42) CNR1ALDH1A1MAPK1
SCHEMBL14868788 0.82 TAAR1 (0.49) CNR1HTTIDO1PLAAT3PLAAT5
SCHEMBL8441620 0.78 IDO1 (0.60) CNR1IDO1KMT2A
SCHEMBL20258635 0.78 MTNR1A (0.62) HPGD
SCHEMBL21562513 0.78 MTNR1A (0.50) KMT2A
Hydrochloric Acid SCHEMBL19371410 0.77 IDO1 (0.58) CNR1IDO1KMT2A
SCHEMBL14868703 0.77 SMN1; SMN2 (0.52) CNR1ALDH1A1HPGDHTTIDO1

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 5 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-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
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
WO-2001010849-A2 SUBSTITUTED ARYLALKYLAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-15 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 (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 CNR1 4511/4885ALDH1A1 1471/4885HPGD 507/4885

“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.