SCHEMBL5848841

SCHEMBL5848841

CCCCCCCCCCCNNC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 4/20 0.46
SPHK2 Q9NRA0 1/20 0.46
HDAC1 Q13547 4/20 0.41
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 3/20 0.41
EPHX1 P07099 7/20 0.41
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37

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
SCHEMBL10006883 1.00 SPHK1 (0.46) SPHK1SPHK2HDAC1HDAC3HDAC2
SCHEMBL4280721 0.98 SPHK1 (0.43) SPHK1SPHK2HDAC1HDAC3HDAC2
Iodide SCHEMBL5325544 0.96 SPHK1 (0.41) SPHK1SPHK2HDAC1HDAC3HDAC2
SCHEMBL3166180 0.91
Acetic Acid SCHEMBL5849280 0.91 HDAC3 (0.43) SPHK1SPHK2HDAC1HDAC3HDAC2
Iodide SCHEMBL28722729 0.89 SPHK2 (0.38) SPHK1SPHK2HDAC1HDAC3HDAC2
Hydrochloric Acid SCHEMBL28575898 0.88 FAAH (0.47)
Octanoic Acid SCHEMBL5848069 0.86 GPR84 (0.55) HDAC11ALDH1A1TSHR
Hexanoate SCHEMBL5847711 0.86 GPR84 (0.55) HDAC11ALDH1A1TSHR
Decanoic Acid SCHEMBL5849865 0.86 GPR84 (0.55) HDAC11ALDH1A1TSHR

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
EP-0918750-B1 NEW GUANIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS CANCER RES VENTURES LTD (GB) 2002-08-14 EP claimed
US-6284798-B1 ALKYLAMINOGUANDINES CANCER RESEARCH VENTURES LIMITED (GB) 2001-09-04 US claimed
US-7078566-B2 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINKS AKTIENGESELLSCHAFT (DE) 2006-07-18 US disclosed
US-20040192717-A1 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof BIOSPHINGS AKTIENGESELLSCHAFT (DE) 2004-09-30 US disclosed
US-6444706-B2 ANTIINFLAMMATORY AGENTS; MICROBIOCIDES; ANTITUMOR AGENTS; VIRICIDES CANCER RESEARCH VENTURES LIMITED (GB) 2002-09-03 US disclosed
EP-0918750-B1 NEW GUANIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS CANCER RES VENTURES LTD (GB) 2002-08-14 EP disclosed
US-20010025055-A1 New guanidine derivatives, processes for preparing them and their use as pharmaceutical compositions AMTMANN EBERHARD (DE) 2001-09-27 US disclosed
US-20010023251-A1 Guanidine derivatives, processes for preparing them and their use as pharmaceutical compositions BIOSPHINGS AG (DE) 2001-09-20 US disclosed
US-6284798-B1 ALKYLAMINOGUANDINES CANCER RESEARCH VENTURES LIMITED (GB) 2001-09-04 US disclosed
EP-0918750-A1 NEW GUANIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS Amtmann, Eberhard (DE) 1999-06-02 EP disclosed
WO-1997045401-A1 NEW GUANIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM KG (DE) 1997-12-04 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 (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-20010025055-A1 New guanidine derivatives, processes for preparing them and their use as pharmaceutical compositions GMPS, GANC, GUCY1A2 SPHK1 2324/4885SPHK2 2309/4885HDAC1 3932/4885
US-20010023251-A1 Guanidine derivatives, processes for preparing them and their use as pharmaceutical compositions GMPS, GANC, GUCY1A2 SPHK1 2473/4885SPHK2 2608/4885HDAC1 4031/4885
US-20040192717-A1 Salts of guanidine derivatives and pharmaceutical preparations consisting thereof ODC1, GANC, AOC2 SPHK1 3208/4885SPHK2 3363/4885HDAC1 2935/4885

“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.