SCHEMBL5801110

SCHEMBL5801110

COc1c(F)cc(NN)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.36
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
DBH P09172 1/20 0.33
ICMT O60725 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ACACB O00763 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
ACHE P22303 1/20 0.30

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
Hydrochloric Acid SCHEMBL31265751 0.98 TUBB1 (0.35) TUBB1PDGFRBPDGFRADBHICMT
SCHEMBL14639852 0.79 TUBB1 (0.37) TUBB1PDGFRBPDGFRADBHICMT
SCHEMBL4946568 0.74 ACHE (0.52) TUBB1HTR2AHTR2CHTR2BACHE
SCHEMBL14600840 0.74 TDP1 (0.37) TUBB1PDGFRBPDGFRADBHICMT
SCHEMBL21995716 0.74 ALDH1A1 (0.41) ALDH1A1GAA
SCHEMBL11714686 0.73 HDAC1 (0.40) ALDH1A1TDP1
SCHEMBL3450618 0.73 PDGFRB (0.37) TUBB1PDGFRBPDGFRADBHALDH1A1
Hydrochloric Acid SCHEMBL9526742 0.73 ALDH1A1 (0.47) TUBB1KDM4EALDH1A1GAATAAR1
Hydrochloric Acid SCHEMBL28015515 0.73 ACHE (0.50) PDGFRBPDGFRAHTR2AHTR2CHTR2B
SCHEMBL28699193 0.73 CA2 (0.46) HTR2A

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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 TUBB1 2692/4885PDGFRB 1558/4885PDGFRA 1530/4885

“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.