SCHEMBL896799

SCHEMBL896799

COc1c(Br)cc(-c2c[nH]c(=O)[nH]c2=O)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
PIM1 P11309 1/20 0.40
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
KDM4E B2RXH2 3/20 0.32
GLA P06280 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
NOTUM Q6P988 1/20 0.32
EGFR P00533 2/20 0.31
ERBB2 P04626 2/20 0.31
IGF1R P08069 1/20 0.31
PDGFRB P09619 1/20 0.31
KIT P10721 1/20 0.31

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
SCHEMBL896914 0.89 ALDH1A1 (0.47) ALDH1A1LMNAPIM1GRIN2DGRIN3B
SCHEMBL13164234 0.74 ALDH1A1 (0.48) ALDH1A1LMNAEGFRERBB2IGF1R
SCHEMBL896995 0.72 CRBN (0.52) ALDH1A1LMNA
SCHEMBL483525 0.72 CYP3A4 (0.63) ALDH1A1LMNA
SCHEMBL483527 0.72 CYP3A4 (0.63) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL896805 0.71 ALDH1A1 (0.38) ALDH1A1LMNACCNKCDK12
SCHEMBL897077 0.69 ERBB2 (0.39) ALDH1A1PIM1GRIN2DGRIN3BGRIN1
SCHEMBL13807389 0.66 HSD17B10 (0.46) ALDH1A1LMNAMAPTNOTUMTSHR
SCHEMBL1119270 0.66 CA2 (0.42) ALDH1A1LMNAMAPTNOTUMSMN1; SMN2
SCHEMBL7940113 0.65 NOTUM (0.41) ALDH1A1LMNAKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO 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-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885LMNA 2133/4885PIM1 1774/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885LMNA 2133/4885PIM1 1774/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2957/4885LMNA 2133/4885PIM1 1774/4885

“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.