SCHEMBL3979

SCHEMBL3979

Nc1nnc(-c2ccccc2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 1.00
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
KDM4E B2RXH2 8/20 0.64
HPGD P15428 4/20 0.64
ALDH1A1 P00352 4/20 0.64
HSD17B10 Q99714 3/20 0.64
DGAT1 O75907 1/20 0.64
GLA P06280 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
ATAD2 Q6PL18 1/20 0.63
MECP2 P51608 1/20 0.60
GAA P10253 1/20 0.56
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55

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
Ammonia Solution, Strong SCHEMBL16238468 0.98 NOTUM (0.96) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL46426 0.83 NPC1 (1.00) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2766462 0.82 PKM (0.74) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL26673871 0.82 NPC1 (0.78) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4343181 0.80 NPC1 (0.94) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8650657 0.80 RAB9A (1.00) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1143348 0.78 KDM4E (1.00) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15718167 0.78 DGAT1 (1.00) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL12550898 0.78 KDM4E (0.66) NOTUMNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL20767009 0.78 NPC1 (0.72) NOTUMNPC1RAB9ASMN1; SMN2KMT2A

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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031974-A Ink for ink jet printing and electroluminescent device 广东聚华印刷显示技术有限公司 2022-02-11 CN claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
CN-101437796-A Piperidine derivatives, their process for preparation, their use as therapeutic agents and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-05-20 CN claimed
CN-101437795-A Piperidine derivatives, process for their preparation, their use as therapeutic agents and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-05-20 CN claimed
CN-101437797-A Piperidine derivatives, their process for preparation, their use as therapeutic agents and pharmaceutical compositions containing them ASTRAZENECA AB (SE) 2009-05-20 CN claimed
EP-4168399-B1 COMPOUNDS AND THEIR USES AS MIF INHIBITORS NANJING IMMUNOPHAGE BIOMEDICAL CO LTD (CN) 2026-04-01 EP disclosed
US-20250051293-A1 NOVEL OXADIAZOLE DERIVATIVE AND USE THEREOF CELROS BIOTECH (KR) 2025-02-13 US disclosed
EP-4431498-A1 NOVEL OXADIAZOLE DERIVATIVE AND USE THEREOF Celros Biotech (KR) 2024-09-18 EP disclosed
US-20240277683-A1 COMPOUNDS CTXT PTY LTD (AU) 2024-08-22 US disclosed
CN-118525010-A Novel oxadiazole derivative and use thereof 赛罗斯生物科技 2024-08-20 CN disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
US-6297385-B1 EXHIBIT BOTH THE GOOD COUPLING KINETICS WHICH ARE REQUIRED FOR USE IN PHOTOGRAPHIC FILM MATERIALS, PARTICULARLY COLOR NEGATIVE FILM, AND ALSO AT THE SAME TIME EXHIBIT GOOD DARK FADING STABILITY, EXHIBIT A LOW HALF-BAND WIDTH. AGFA-GEVAERT (BE) 2001-10-02 US disclosed
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed
US-4051099-A ISOINDOLES CIBA-GEIGY CORPORATION (US) 1977-09-27 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-20240277683-A1 COMPOUNDS SLC10A1, ABCB11, REN NOTUM 398/4885NPC1 9/4885RAB9A 352/4885
US-20250051293-A1 NOVEL OXADIAZOLE DERIVATIVE AND USE THEREOF NOX1, NOX3, NOX4 NOTUM 4117/4885NPC1 2791/4885RAB9A 2971/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 NOTUM 2474/4885NPC1 1259/4885RAB9A 487/4885

“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.