SCHEMBL17034690

SCHEMBL17034690

CC1=Cc2c(cccc2[N+](=O)[O-])C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.52
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ACHE P22303 1/20 0.42
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL9234314 0.76 TDP1 (0.44) TDP1TSHRSMN1; SMN2HSD17B10ACHE
Iodide SCHEMBL9079407 0.74 TDP1 (0.43) TDP1TSHRSMN1; SMN2HSD17B10ACHE
SCHEMBL4310350 0.72 TDP1 (0.41) TDP1TSHRSMN1; SMN2HSD17B10ACHE
SCHEMBL28381941 0.71 ACHE (0.58) TDP1TSHRSMN1; SMN2HSD17B10ACHE
SCHEMBL30477217 0.70 CYP2A6 (0.36) TDP1TSHRSMN1; SMN2ACHEALDH1A1
Ammonia Solution, Strong SCHEMBL27809956 0.69 TDP1 (0.50) TDP1TSHRSMN1; SMN2HSD17B10ACHE
Bromide SCHEMBL7268760 0.69 TDP1 (0.50) TDP1TSHRSMN1; SMN2HSD17B10ACHE
SCHEMBL472112 0.69 TDP1 (1.00) TDP1TSHRSMN1; SMN2HSD17B10GPR35
SCHEMBL376449 0.69 ALDH1A1 (0.46) TDP1TSHRSMN1; SMN2HSD17B10ACHE
SCHEMBL17034701 0.69 L3MBTL1 (0.32) L3MBTL1

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-10010554-B2 Fused pyrimidines as inhibitors of P97 complex CLEAVE BIOSCIENCES, INC. (US) 2018-07-03 US disclosed
US-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2017-09-14 US disclosed
US-9475824-B2 Fused pyrimidines as inhibitors of p97 complex CLEAVE BIOSCIENCES, INC. (US) 2016-10-25 US disclosed
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2015-08-27 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 (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-20170258795-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 TDP1 805/4885TSHR 4697/4885SMN1; SMN2 2126/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 TDP1 805/4885TSHR 4697/4885SMN1; SMN2 2126/4885
US-10010554-B2 Fused pyrimidines as inhibitors of P97 complex PSMG3, PSME1, PSMB1 TDP1 805/4885TSHR 4697/4885SMN1; SMN2 2126/4885

“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.