SCHEMBL30504205

SCHEMBL30504205

NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
LOXL2 Q9Y4K0 1/20 0.64
LMNA P02545 2/20 0.61
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ACHE P22303 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX15 P16050 1/20 0.52
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CA2 P00918 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
SCHEMBL43922 1.00 TSHR (0.67) TSHRLOXL2LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL31687554 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Bromide SCHEMBL31513711 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL1017929 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Hydrochloric Acid SCHEMBL1970066 0.98 TSHR (0.65) TSHRLOXL2LMNAALDH1A1NPC1
Trimethylammonium SCHEMBL27367476 0.93 TSHR (0.59) TSHRLOXL2LMNAALDH1A1NPC1
Nitrobenzene SCHEMBL11745249 0.86 LOXL2 (0.73) TSHRLOXL2LMNAALDH1A1NPC1
SCHEMBL12209734 0.85 FFAR1 (0.56) TSHRLOXL2LMNAALDH1A1NPC1
SCHEMBL12209750 0.85 NFE2L2 (0.66) TSHRLOXL2LMNAALDH1A1NPC1
SCHEMBL6545015 0.85 TSHR (0.62) TSHRLOXL2LMNAALDH1A1CYP1A2

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
EP-4698520-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF Gandeeva Therapeutics, Inc. (US) 2026-02-25 EP disclosed
WO-2024220708-A1 RAF-MEK PROTEIN COMPLEX MODULATORS AND METHODS OF USE THEREOF GANDEEVA THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 CN disclosed
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
US-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ORIGIANT PHARMACEUTICAL CO., LTD (CN) 2023-11-16 US disclosed
EP-4212525-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Origiant Pharmaceutical Co., Ltd (CN) 2023-07-19 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 (1 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-20230365546-A1 5-SUBSTITUTED INDOLE 3-AMIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF RIPK1, RIPK3, RIPK2 TSHR 2487/4885LOXL2 3900/4885LMNA 3352/4885

“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.