SCHEMBL1396

SCHEMBL1396

Cc1cc(N)cc([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 7/20 0.52
NPC1 O15118 1/20 0.51
ACHE P22303 2/20 0.50
CYP3A4 P08684 3/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1097495 0.89 TSHR (1.00) TSHRMEN1KMT2AALDH1A1ACHE
SCHEMBL539064 0.84 ALDH1A1 (0.60) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL65293 0.84 CYP19A1 (0.62) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL635130 0.84 TSHR (0.90) TSHRMEN1KMT2AALDH1A1ACHE
Morpholine SCHEMBL28321649 0.82 TSHR (0.53) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL7896134 0.79 NPC1 (0.68) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL5538329 0.79 CYP19A1 (0.62) TSHRMAPTALDH1A1CYP3A4POLB
Urea SCHEMBL3678424 0.76 SMN1; SMN2 (0.63) TSHRMAPTALDH1A1NPC1CYP3A4
SCHEMBL1718796 0.74 ALDH1A1 (0.50) TSHRMAPTMEN1KMT2AALDH1A1
SCHEMBL1863964 0.74 ALDH1A1 (0.52) TSHRMAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4725554-A2 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2026-04-15 EP disclosed
US-RE50528-E1 Compounds and compositions for modulating EGFR mutant kinase activities YUHAN CORPORATION (KR) 2025-08-12 US disclosed
US-20250179013-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. 2025-06-05 US disclosed
EP-4563146-A1 FLAVIVIRUS INHIBITORS IRBM S.P.A. (IT) 2025-06-04 EP disclosed
EP-4479380-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF Accent Therapeutics, Inc. (US) 2024-12-25 EP disclosed
EP-3929190-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES YUHAN CORP (KR) 2024-12-25 EP disclosed
EP-4421069-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR MUTANT KINASE ACTIVITIES Yuhan Corporation (KR) 2024-08-28 EP disclosed
EP-4306535-A1 COMPOUND OR SALT THEREOF, AND ANTIBODY OBTAINED USING SAME AJINOMOTO CO., INC. (JP) 2024-01-17 EP disclosed
WO-2023158795-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
EP-0355326-B1 Nonlinear optical material SUMITOMO BAKELITE CO (JP) 1993-10-27 EP disclosed
US-5254135-A Applying indole dye, developing with oxidizing system L'OREAL (FR) 1993-10-19 US disclosed
EP-0564409-A1 Pyrimidin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-10-06 EP disclosed
US-5110988-A N-methoxymethyl-4-nitroaniline SUMITOMO BAKELITE COMPANY LIMITED (JP) 1992-05-05 US disclosed
EP-0355326-A2 Nonlinear optical material SUMITOMO BAKELITE COMPANY LIMITED (JP) 1990-02-28 EP disclosed
EP-0081157-B1 PROCESS FOR THE PREPARATION OF N-NITROARYL-NITROARYL CARBOXAMIDES BAYER AG (DE) 1985-01-02 EP disclosed
EP-0081157-A1 Process for the preparation of N-nitroaryl-nitroaryl carboxamides BAYER AG (DE) 1983-06-15 EP disclosed
US-4304922-A REDOX SYSTEMS COMPRISING A UREA, AN ALCOHOL, CARBON MONOXIDE, OXYGEN, A REDUCIBLE METAL SALT, AND A CATALYTIC GROUP 8 METAL SALT BAYER AKTIENGESELLSCHAFT (DE) 1981-12-08 US disclosed
EP-0016949-B1 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1981-10-14 EP disclosed
EP-0016949-A1 Process for preparing urethanes BAYER AG (DE) 1980-10-15 EP 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-20250179013-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF DHX9, DHX29, DDX39B TSHR 4733/4885MAPT 3830/4885MEN1 3047/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA TSHR 2696/4885MAPT 3976/4885MEN1 1172/4885

“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.