SCHEMBL2962023

SCHEMBL2962023

CCOC(=O)c1cn(C(C)(C)C)c2nc(C(F)(F)F)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.45
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2023298 0.84 ALDH1A1 (0.45) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL2963827 0.84 LMNA (0.46) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL2095463 0.80 NPC1 (0.46) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL2970319 0.78 ELANE (0.52) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL10390918 0.77 BAZ2B (0.42) TDP1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL501306 0.77 KMT2A (0.46) TDP1ALDH1A1TSHRLMNAKMT2A
SCHEMBL14535544 0.76 TSHR (0.46) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL1072510 0.76 TSHR (0.49) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL8941932 0.76 KMT2A (0.45) TDP1ALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL4400996 0.75 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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 (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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TDP1 4336/4885ALDH1A1 2723/4885TSHR 4805/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 TDP1 4336/4885ALDH1A1 2723/4885TSHR 4805/4885

“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.