SCHEMBL2373994

SCHEMBL2373994

COC(=O)Cc1c(C)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
AKR1B1 P15121 1/20 0.47
P2RX7 Q99572 4/20 0.46
MAPK1 P28482 1/20 0.45
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ABL1 P00519 1/20 0.42
SRC P12931 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL3743731 0.89 AKR1B1 (0.59) SMN1; SMN2AKR1B1MAPK1ALDH1A1KMT2A
SCHEMBL2687097 0.87 EGFR (0.45) SMN1; SMN2NLRP3ALDH1A1KMT2AKDM4E
SCHEMBL31514215 0.85 NLRP3 (0.54) AKR1B1MAPK1NLRP3ALDH1A1KMT2A
SCHEMBL28158406 0.83 SMN1; SMN2 (0.51) SMN1; SMN2AKR1B1MAPK1ALDH1A1KMT2A
SCHEMBL13136744 0.82 MAPK1 (0.45) SMN1; SMN2AKR1B1P2RX7MAPK1NLRP3
SCHEMBL838467 0.81 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KMT2AKDM4ETSHR
SCHEMBL7593366 0.81 SMN1; SMN2 (0.50) SMN1; SMN2AKR1B1MAPK1ALDH1A1KMT2A
SCHEMBL3044981 0.80 AKR1B1 (0.74) AKR1B1P2RX7MAPK1KMT2AKDM4E
SCHEMBL7674948 0.80 AKR1B1 (0.52) SMN1; SMN2AKR1B1P2RX7MAPK1ALDH1A1
SCHEMBL8278400 0.80 AKR1B1 (0.52) SMN1; SMN2AKR1B1P2RX7MAPK1KMT2A

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
WO-2025068452-A1 GUANFACINE DERIVATIVES AND THEIR USE IN TREATING CANCER NEGIO THERAPEUTICS (BE) 2025-04-03 WO disclosed
US-8901038-B2 Biphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
CN-102834378-A Biphenyl-substituted cyclic keto-enols BAYER CROPSCIENCE AG 2012-12-19 CN disclosed
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 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 (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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 SMN1; SMN2 144/4885AKR1B1 1913/4885P2RX7 293/4885
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols KCNE1, KDM4E, PIKFYVE SMN1; SMN2 4244/4885AKR1B1 116/4885P2RX7 785/4885

“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.