SCHEMBL17259082

SCHEMBL17259082

O=C(O)c1ccn(-c2c[nH]nc2C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 1/20 0.31
PLA2G4A P47712 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL16330891 0.72 CYP2C9 (0.36) SMN1; SMN2CYP2C9KMT2ATSHRMEN1
SCHEMBL2510446 0.69 IDO1 (0.42) SMN1; SMN2CYP2C9KMT2ATSHRAKR1C3
SCHEMBL2802546 0.69 MYC (0.53) KMT2AMEN1
SCHEMBL15754580 0.68 ALDH1A1 (0.54) CYP2C9AKR1C3AKR1C1
SCHEMBL1367745 0.68 MARS1 (0.44) KMT2ATSHRMEN1
SCHEMBL1063920 0.67 CYP2C9 (0.61) SMN1; SMN2CYP2C9KMT2ATSHRHCAR2
SCHEMBL3383807 0.67 ALDH1A1 (0.45) CYP2C9AKR1C3AKR1C1
SCHEMBL25280786 0.66 HTT (0.49) SMN1; SMN2TSHR
SCHEMBL10581947 0.66 RPA1 (0.55) SMN1; SMN2TSHR
SCHEMBL8297949 0.66 NPC1 (0.49) TSHRAKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475777-B2 Thermally robust, highly porous, and partially fluorinated organic framework with affinity for hydrocarbons, fluorocarbons and freons UNIVERSITY OF HOUSTON SYSTEM (US) 2016-10-25 US disclosed
CN-105579127-A Aldehyde removal material TOYO BOSEKI 2016-05-11 CN disclosed
US-20150329492-A1 THERMALLY ROBUST, HIGHLY POROUS, AND PARTIALLY FLUORINATED ORGANIC FRAMEWORK WITH AFFINITY FOR HYDROCARBONS, FLUOROCARBONS AND FREONS UNIVERSITY OF HOUSTON SYSTEM (US) 2015-11-19 US disclosed
WO-2015175348-A1 THERMALLY ROBUST, HIGHLY POROUS, AND PARTIALLY FLUORINATED ORGANIC FRAMEWORK WITH AFFINITY FOR HYDROCARBONS, FLUOROCARBONS AND FREONS UNIVERSITY OF HOUSTON SYSTEM (US) 2015-11-19 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-20150329492-A1 THERMALLY ROBUST, HIGHLY POROUS, AND PARTIALLY FLUORINATED ORGANIC FRAMEWORK WITH AFFINITY FOR HYDROCARBONS, FLUOROCARBONS AND FREONS FPR1, FPR3, FPR2 SMN1; SMN2 4496/4885CYP2C9 410/4885KMT2A 2498/4885

“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.