SCHEMBL429310

SCHEMBL429310

CC1(C)CNc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1B1 P15121 2/20 0.45
TDP2 O95551 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
CYP3A4 P08684 2/20 0.41
PNMT P11086 5/20 0.41
ADRA2A P08913 3/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HSPA9 P38646 2/20 0.40
PGR P06401 1/20 0.39
GAA P10253 1/20 0.39

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
Hydrochloric Acid SCHEMBL4967505 0.98 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL201301 0.87 MAPT (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL3146468 0.85 MAPT (0.45) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL397096 0.84 HSPA9 (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1011970 0.82 MAPT (0.52) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL397620 0.81 HSPA9 (0.48) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2636968 0.80 MAPT (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL445340 0.80 CYP3A4 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL17242437 0.80 MAPT (0.50) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6652252 0.78 MAPT (0.58) MAPTNPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104497237-B Temperature/light double-response gold nanocluster hybrid microgel and preparation method thereof 湖南科技大学 2017-02-01 CN claimed
US-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-01 US disclosed
WO-2021212039-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-10-21 WO disclosed
EP-1885369-B1 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-09-23 EP disclosed
CN-104497237-A Temperature/light double-response gold nanocluster hybrid microgel and preparation method thereof UNIV HUNAN SCI & TECHNOLOGY 2015-04-08 CN disclosed
US-8859545-B2 Tetrahydronaphthyridine and tetrahydropyrido[4,3-D]pyrimidine compounds and compositions thereof useful for the treatment of inflammatory and respiratory diseases EVOTEC AG (DE) 2014-10-14 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8629289-B2 Method for the preparation of 1-acetyl-6-amino-3,3-dimethyl-2,3-dihydroindole AMGEN INC. (US) 2014-01-14 US disclosed
US-5696133-A ADMINISTERING COMPOUND WHICH MODULATES ACTIVITY OF PROGESTERONE RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-09 US disclosed
US-5693647-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5693646-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-12-02 US disclosed
US-5688808-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
US-5688810-A Steroid receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-11-18 US disclosed
EP-0800519-A1 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996019458-A2 STEROID RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-06-27 WO disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 US disclosed
US-4607006-A Silver halide photographic light-sensitive material containing non-spectral sensitizing electron donative silver halide adsorptive compound FUJI PHOTO FILM CO., LTD. (JP) 1986-08-19 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 (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-20220380347-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSV, CTSL MAPT 1905/4885NPC1 591/4885RAB9A 1986/4885

“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.