SCHEMBL5584843

SCHEMBL5584843

COCOc1cccc2oc(NNC(=O)NN)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.40
MAPT P10636 3/20 0.36
CYP2A6 P11509 1/20 0.34
MMP2 P08253 1/20 0.34
OGG1 O15527 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
IGF1R P08069 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL5585273 0.87 CA12 (0.45) MAPTCYP2A6MMP2CA12CA1
SCHEMBL5584844 0.81 MAPT (0.49) F2RL3MAPTCYP2A6MMP2HTT
SCHEMBL5584443 0.75 LMNA (0.48) F2RL3MAPTCYP2A6PIM1HTT
SCHEMBL15349649 0.75 F2RL3 (0.46) F2RL3MAPTCYP2A6CA12CA1
SCHEMBL15349456 0.72 F2RL3 (0.43) F2RL3MAPTCYP2A6CA12CA1
SCHEMBL15359239 0.72 F2RL3 (0.44) F2RL3MAPTCYP2A6CA12CA1
SCHEMBL10920394 0.70 F2RL3 (0.47) F2RL3CYP2A6CA12CA1CA2
SCHEMBL5584870 0.70 KMT2A (0.54) MAPTCA12CA1CA2CA9
SCHEMBL9900954 0.69 CNR2 (0.48) F2RL3CYP2A6CA12CA1CA2
SCHEMBL15349458 0.68 F2RL3 (0.41) F2RL3MAPTCYP2A6CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885MAPT 949/4885CYP2A6 956/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A F2RL3 3870/4885MAPT 949/4885CYP2A6 956/4885

“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.