SCHEMBL3500728

SCHEMBL3500728

CCCCc1ccc2nc(N)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.59
S1PR1 P21453 4/20 0.59
S1PR5 Q9H228 3/20 0.59
TUBB4A P04350 8/20 0.55
TUBB P07437 8/20 0.55
TUBA3C P0DPH7 8/20 0.55
TUBA1B P68363 8/20 0.55
TUBA4A P68366 8/20 0.55
TUBB4B P68371 8/20 0.55
TUBB3 Q13509 8/20 0.55
TUBB2A Q13885 8/20 0.55
TUBB8 Q3ZCM7 8/20 0.55
TUBA3E Q6PEY2 8/20 0.55
TUBA1A Q71U36 8/20 0.55
TUBA1C Q9BQE3 8/20 0.55
TUBB6 Q9BUF5 8/20 0.55
TUBB2B Q9BVA1 8/20 0.55
TUBB1 Q9H4B7 8/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55

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
SCHEMBL5924403 0.90 BACE1 (0.53) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL3500724 0.88 ATP4A (0.46) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL240221 0.83 TYMS (0.60) S1PR4S1PR1S1PR5LMNACYP1A2
SCHEMBL13699194 0.82 TUBB4A (0.46) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL8083831 0.81 TUBB4A (0.55) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL9295731 0.80 MPL (0.67) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL23776494 0.79 TUBB4A (0.53) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL20055055 0.79 S1PR4 (0.63) S1PR4S1PR1S1PR5TUBB4ATUBB
SCHEMBL12686275 0.78 PLAU (0.58) CYP1A2CYP2D6PLAUHTR3EHTR3B
SCHEMBL4779966 0.78 TYMS (0.55) S1PR4S1PR1S1PR5LMNACYP1A2

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
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
WO-2008014221-A2 BRIDGED CARBAMATE MACROLIDES ENANTA PHARMACEUTICALS, INC. (US) 2008-01-31 WO disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
US-5326779-A Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles THE ROCKEFELLER UNIVERSITY (US) 1994-07-05 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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 S1PR4 2273/4885S1PR1 2184/4885S1PR5 2576/4885

“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.