SCHEMBL30633367

SCHEMBL30633367

CC(C)(C)c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.66
TXN P10599 2/20 0.58
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 1/20 0.54
ABCB11 O95342 1/20 0.54
TP53 P04637 1/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
DDAH1 O94760 1/20 0.50
POLB P06746 1/20 0.50
MASP2 O00187 1/20 0.50
MEN1 O00255 1/20 0.50
NUDT1 P36639 1/20 0.50
KMT2A Q03164 1/20 0.50
AOC3 Q16853 1/20 0.50

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
SCHEMBL846351 1.00 NPSR1 (0.66) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL229852 0.89 NPSR1 (0.68) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL13049405 0.84 NPSR1 (0.72) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL38661952 0.84 NPSR1 (0.61) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL6755353 0.84 NPSR1 (0.61) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL19866370 0.84 NPSR1 (0.61) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL15294544 0.84 NPSR1 (0.61) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL13073559 0.81 NPSR1 (0.58) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL19540740 0.81 NPSR1 (0.58) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2
SCHEMBL20283848 0.81 NPSR1 (0.58) NPSR1TXNHDAC6ALDH1A1SMN1; SMN2

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-20260150576-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2026-05-28 US disclosed
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4172164-B1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2025-08-27 EP disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 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 (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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB NPSR1 3573/4885TXN 1514/4885HDAC6 1315/4885
US-20260150576-A1 HETEROAROMATIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES ESRRA, NR3C1, NR2C2 NPSR1 273/4885TXN 1023/4885HDAC6 3374/4885

“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.