SCHEMBL1152779

SCHEMBL1152779

CCCOCC1(C(F)(F)F)c2cc(F)ccc2Nc2c1cc[nH]c2=O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
AKR1B1 P15121 3/20 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
SCHEMBL1153065 0.88 CYP46A1 (0.39) MAPT
SCHEMBL1152556 0.85 CYP1A2 (0.33) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1153156 0.85 MMP14 (0.34) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152772 0.84 JAK2 (0.33) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152307 0.84 HTR7 (0.33) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152602 0.83 JAK2 (0.33) CYP1A2MAPTCYP2C19KMT2A
SCHEMBL6296986 0.83 HTR7 (0.35) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1153072 0.83 CCNE1 (0.32) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL1152951 0.80 CYP1A2 (0.33) CYP1A2MAPTCYP2C19KMT2AAKR1B1
SCHEMBL6301279 0.80 JAK2 (0.35) CYP1A2MAPTCYP2C19KMT2AAKR1B1

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-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS CYP1A2 3895/4885MAPT 1583/4885CYP2C19 3439/4885

“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.