SCHEMBL2911974

SCHEMBL2911974

COc1ccc(C(N)=O)c(-c2c(C)c(C)c3oc(C)c(-c4ccc(C(C)C)cc4)c3c2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 2/20 0.34
CASP1 P29466 1/20 0.34
PTGS2 P35354 3/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
PTGS1 P23219 2/20 0.33
CYP1A2 P05177 2/20 0.33
GPR35 Q9HC97 1/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2904866 0.91 GPR35 (0.40) KDM4EPOLBSMN1; SMN2PTGS2AKR1C3
SCHEMBL27616643 0.81 MAPT (0.40) KDM4ESMN1; SMN2PTGS2MEN1RAB9A
SCHEMBL4040809 0.81 GPR35 (0.42) KDM4EPOLBSMN1; SMN2AKR1C3AKR1C2
SCHEMBL2914394 0.77 ALOX5 (0.37) KDM4EPOLBSMN1; SMN2ALOX5GPR35
SCHEMBL2904869 0.73 MAPT (0.41) POLBSMN1; SMN2CYP1A2MEN1RAB9A
SCHEMBL2911971 0.73 RAB9A (0.44) SMN1; SMN2GPR35MEN1RAB9AKMT2A
SCHEMBL2914392 0.70 CACNA1H (0.47) KDM4ESMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL4046157 0.69 BCL2 (0.41) KDM4EPOLBPTGS2PTGS1MEN1
SCHEMBL2910112 0.69 SMN1; SMN2 (0.36) KDM4EPOLBSMN1; SMN2RAB9AKMT2A
SCHEMBL2911517 0.68 NPC1 (0.41) SMN1; SMN2TSHRRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481679-B1 ANTIDEPRESSANT TAKEDA PHARMACEUTICAL (JP) 2010-08-25 EP disclosed
US-7750037-B2 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-06 US disclosed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US disclosed
US-20050148650-A1 Antidepressant TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
EP-1481679-A1 ANTIDEPRESSANT Takeda Chemical Industries, Ltd. (JP) 2004-12-01 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-20050148650-A1 Antidepressant AKT1S1, AKT1, AKT2 KDM4E 2631/4885POLB 2373/4885SMN1; SMN2 3766/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 KDM4E 2631/4885POLB 2373/4885SMN1; SMN2 3766/4885

“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.