SCHEMBL3262023

SCHEMBL3262023

CCCCC(=N)N.CCCCC(=N)N

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.79
SPHK1 Q9NYA1 1/20 0.79
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
NOS2 P35228 3/20 0.46
CES1 P23141 3/20 0.43
CES2 O00748 2/20 0.43
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
CA1 P00915 1/20 0.38
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.34
CYP3A4 P08684 1/20 0.34
SOAT1 P35610 1/20 0.34

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
SCHEMBL1795496 1.00
Hydrochloric Acid SCHEMBL7060562 0.97
Hydrochloric Acid SCHEMBL3228 0.97
SCHEMBL3989834 0.97
SCHEMBL1238028 0.91
SCHEMBL3660713 0.88 SPHK2 (1.00) SPHK2SPHK1CES1CES2ALDH1A1
SCHEMBL172772 0.88 SPHK2 (1.00) SPHK2SPHK1CES1CES2ALDH1A1
SCHEMBL172792 0.88 SPHK2 (1.00) SPHK2SPHK1CES1CES2ALDH1A1
SCHEMBL2698594 0.88 SPHK2 (1.00) SPHK2SPHK1CES1CES2ALDH1A1
SCHEMBL1794389 0.88 SPHK2 (1.00) SPHK2SPHK1CES1CES2ALDH1A1

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-2190829-B1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm Biotech Srl (IT) 2016-08-17 EP disclosed
US-8420634-B2 Amidine, thiourea and guanidine derivatives of 2-aminobenzothiazoles and aminobenzothiazines for their use as pharmacological agents for the treatment of neurodegenerative pathologies ROTTAPHARM S.P.A. (IT) 2013-04-16 US disclosed
US-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM BIOTECH S.R.L. (IT) 2010-08-05 US disclosed
EP-2190829-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm S.p.A. (IT) 2010-06-02 EP disclosed
WO-2009040331-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM S.P.A. (IT) 2009-04-02 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-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ABAT, SMN1; SMN2, IAPP SPHK2 1215/4885SPHK1 1409/4885NOS3 204/4885

“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.