SCHEMBL948640

SCHEMBL948640

CCOC(=O)c1n[nH]cc1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP19A1 P11511 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRB2 P47870 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL7421844 0.87 TDP1 (0.50) SMN1; SMN2KDM4EKMT2APOLBCYP3A4
SCHEMBL29342683 0.82 KDM4E (0.46) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL27724759 0.82 LMNA (0.46) SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL947154 0.82 HCAR2 (0.45) SMN1; SMN2KDM4EMEN1KMT2ALMNA
SCHEMBL946588 0.81 KDM4E (0.47) KDM4EMEN1KMT2APOLBCYP1A2
SCHEMBL27163469 0.81 KDM4E (0.45) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL951011 0.79 KDM4E (0.43) SMN1; SMN2KDM4EMEN1KMT2APOLB
SCHEMBL29936373 0.79 PLA2G10 (0.46) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL7703559 0.79 KDM4E (0.49) KDM4EMEN1KMT2APOLBCYP1A2
SCHEMBL13651216 0.77 KDM4E (0.48) KDM4EMEN1KMT2APOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
CN-117915918-A Soluble adenylate cyclase (sAC) inhibitors and uses thereof 康奈尔大学 2024-04-19 CN disclosed
EP-4329762-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF Cornell University (US) 2024-03-06 EP disclosed
WO-2022232259-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2022-11-03 WO disclosed
US-20160318933-A1 FUSED PYRAZOLE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-11-03 US disclosed
EP-2451450-B1 Inhibitors of proline racemase enzymes for the treatment of Trypanosoma spp infections PASTEUR INSTITUT (FR) 2014-07-02 EP disclosed
EP-2451450-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES Institut Pasteur (FR) 2012-05-16 EP disclosed
WO-2011004323-A1 NEW INHIBITORS OF PROLINE RACEMASE ENZYMES INSTITUT PASTEUR (FR) 2011-01-13 WO disclosed
EP-2272510-A1 Inhibitors of the proline racemase of trypanosoma cruzi Institut Pasteur (FR) 2011-01-12 EP 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 (2 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-20160318933-A1 FUSED PYRAZOLE DERIVATIVE DRD4, DRD2, DRD3 SMN1; SMN2 2784/4885PDE3B 492/4885PDE3A 914/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 SMN1; SMN2 4377/4885PDE3B 21/4885PDE3A 22/4885

“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.