SCHEMBL9719317

SCHEMBL9719317

Cc1cccc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TSHR P16473 5/20 0.53
TDP1 Q9NUW8 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2A6 P11509 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ACHE P22303 1/20 0.52
CYP3A4 P08684 3/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 5/20 0.46
ALPG P10696 1/20 0.46
CYP19A1 P11511 1/20 0.46
S100A4 P26447 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL9719324 0.86 ALDH1A1 (0.53) ALDH1A1TSHRTDP1CYP1A2CYP2A6
SCHEMBL8623371 0.81 MEN1 (0.65) ALDH1A1TSHRTDP1CYP2A6HSD17B10
SCHEMBL29903883 0.81 MEN1 (0.65) ALDH1A1TSHRTDP1CYP2A6HSD17B10
SCHEMBL29450699 0.81 MEN1 (0.65) ALDH1A1TSHRTDP1CYP2A6HSD17B10
SCHEMBL187061 0.80 ALDH1A1 (0.63) ALDH1A1TSHRTDP1HPGDACHE
SCHEMBL29715187 0.79 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HPGDHSD17B10
SCHEMBL27054914 0.79 TSHR (0.50) ALDH1A1TSHRTDP1CYP1A2ACHE
SCHEMBL8686458 0.79 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HPGDHSD17B10
SCHEMBL4958995 0.79 TSHR (0.52) ALDH1A1TSHRHPGDLMNANPC1
SCHEMBL29715190 0.79 TSHR (0.50) ALDH1A1TSHRTDP1CYP1A2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025916-A1 KRAS G12C INHIBITORS ELI LILLY AND COMPANY 2024-01-25 US disclosed
WO-2022119748-A1 TRICYCLIC KRAS G12C INHIBITORS ELI LILLY AND COMPANY (US) 2022-06-09 WO disclosed
US-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-09-21 US disclosed
US-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2017-09-21 US disclosed
WO-2016029307-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-03 WO disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 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-20240025916-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ALDH1A1 2669/4885TSHR 1542/4885TDP1 3107/4885
US-20170267689-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME PASK, PAM, PTMS ALDH1A1 4606/4885TSHR 1350/4885TDP1 4135/4885

“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.