SCHEMBL4918205

SCHEMBL4918205

COC(=O)c1ccc2c(c1)C(NC(C)=O)c1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.64
HTR2B P41595 1/20 0.64
GAA P10253 1/20 0.53
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
PDK2 Q15119 2/20 0.44
EGFR P00533 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL144326 0.82 KMT2A (0.65) HTR7HTR2BGAAKMT2AMEN1
SCHEMBL26121816 0.80 HTR7 (0.58) HTR7HTR2BGAAKMT2AMEN1
SCHEMBL4919502 0.78 HTR7 (0.57) HTR7HTR2BGAAKMT2AMEN1
SCHEMBL10708943 0.78 HTR7 (0.57) HTR7HTR2BGAAKMT2AMEN1
SCHEMBL20781244 0.76 EGFR (0.46) GAAKMT2AMEN1PDK2EGFR
SCHEMBL26120364 0.74 HTR2B (0.56) HTR7HTR2BGAAPDK2MAPT
SCHEMBL26120994 0.74 PDK2 (0.48) HTR7HTR2BGAAPDK2EGFR
SCHEMBL30571876 0.74 PDK2 (0.48) HTR7HTR2BGAAPDK2EGFR
SCHEMBL26118036 0.73 TSHR (0.57) GAALMNAPDK2EGFRMAPT
SCHEMBL26116182 0.72 PDK2 (0.47) HTR2BGAAPDK2EGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 EP disclosed
CN-1842517-A Fluorene derivatives ASTELLAS PHARMA INC (JP) 2006-10-04 CN 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 (3 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A HTR7 2/4885HTR2B 1/4885GAA 3854/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C HTR7 2/4885HTR2B 1/4885GAA 4616/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B HTR7 1/4885HTR2B 4/4885GAA 3990/4885

“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.