SCHEMBL21179898

SCHEMBL21179898

C=C1C(=O)Nc2ccc(OC)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
HPGD P15428 1/20 0.56
HIF1A Q16665 1/20 0.56
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
LRRK2 Q5S007 4/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TLK2 Q86UE8 4/20 0.51
PDPK1 O15530 2/20 0.51
RET P07949 5/20 0.50
CDK2 P24941 3/20 0.50
CCNE1 P24864 2/20 0.50
TGM2 P21980 1/20 0.50
CDK1 P06493 2/20 0.49
MAPK1 P28482 2/20 0.49
KDR P35968 2/20 0.49
GSK3A P49840 2/20 0.49

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
5-Methoxyisatin SCHEMBL29506298 0.82 ALDH1A1 (1.00) ALDH1A1PDE3BPDE3ALRRK2MAPT
5-Methoxyisatin SCHEMBL21602 0.82 ALDH1A1 (1.00) ALDH1A1PDE3BPDE3ALRRK2MAPT
5-Methoxyisatin SCHEMBL3935863 0.81 ALDH1A1 (0.96) ALDH1A1PDE3BPDE3ALRRK2MAPT
SCHEMBL14446594 0.79 CES1 (0.72) ALDH1A1LRRK2MAPTRETTGM2
SCHEMBL5918370 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EPDE3BPDE3ALRRK2
SCHEMBL20246772 0.77 ALDH1A1 (0.66) ALDH1A1PDE3BPDE3ALRRK2MAPT
SCHEMBL19928099 0.77 ALDH1A1 (0.66) ALDH1A1PDE3BPDE3ALRRK2MAPT
SCHEMBL31107477 0.77 ROS1 (0.61) ALDH1A1KDM4ELRRK2MAPTSMN1; SMN2
SCHEMBL10061666 0.77 ROS1 (0.61) ALDH1A1KDM4ELRRK2MAPTSMN1; SMN2
SCHEMBL18505834 0.76 LRRK2 (0.61) ALDH1A1KDM4EGLAHPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 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-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 ALDH1A1 2389/4885KDM4E 883/4885GLA 2924/4885

“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.