SCHEMBL201301

SCHEMBL201301

CC1(C)CNc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSPA9 P38646 2/20 0.49
CAPN9 O14815 1/20 0.45
CASP3 P42574 1/20 0.45
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SNCA P37840 4/20 0.42
TDP2 O95551 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
PNMT P11086 2/20 0.41

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
SCHEMBL429310 0.87 MAPT (0.57) MAPTNPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL4967505 0.85 MAPT (0.56) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL6540296 0.84 PGR (0.62) MAPTNPC1RAB9ATDP2TDP1
SCHEMBL16150263 0.82 MAPT (0.49) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2060732 0.81 HSPA9 (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL28332254 0.79 PNMT (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL25172680 0.78 MAPT (0.46) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL8314094 0.78 TDP2 (0.50) MAPTMEN1KMT2ACAPN9CASP3
SCHEMBL445340 0.76 CYP3A4 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2636968 0.76 MAPT (0.54) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103180294-B Diamines, polyimide precursor, polyimide, liquid crystal aligning agent, liquid crystal orientation film and liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-23 CN disclosed
CN-103180294-A Diamine, polyimide precursor, polyimide, liquid-crystal alignment material, liquid-crystal alignment film, and liquid-crystal display element NISSAN CHEMICAL IND LTD 2013-06-26 CN disclosed
US-8377961-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-19 US disclosed
US-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 LACRAMPE JEAN FERNAND ARMAND (FR) 2012-03-22 US disclosed
US-8088795-B2 Cyclic-alkylamine derivatives as inhibitors of the interaction between MDM2 and p53 JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
EP-1919920-B1 PENTACYCLIC KINASE INHIBITORS GENENTECH INC (US) 2011-05-18 EP disclosed
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
US-7749994-B2 Pentacyclic kinase inhibitors GENENTECH, INC. (US) 2010-07-06 US disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
EP-1999126-B1 CYCLIC-ALKYLAMINEDERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2010-06-09 EP disclosed
WO-2007022102-A2 PENTACYCLIC KINASE INHIBITORS GENENTECH, INC. (US) 2007-02-22 WO disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 US disclosed
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals HOFFMAN-LAROUCHE, INC. 2007-02-15 US disclosed
EP-1678173-A2 4-HETEROBICYCLYLAMINO-SUBSTITUTED QUINAZOLINES AND ANALOGUES THEREOF AS CAPSAICIN-ANTAGONISTS NEUROGEN CORPORATION (US) 2006-07-12 EP disclosed
WO-2005023807-A2 4 - HETEROBICYCLYAMINO - SUBSTITUTED QUINAZOLINES AND ANALOGUES THEROF AS CAPSAICIN - ANTAGONISTS NEUROGEN CORPORATION (US) 2005-03-17 WO disclosed
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US 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
US-3935199-A ANALEPTIC MEAD JOHNSON & COMPANY (US) 1976-01-27 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-20120071508-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 MAPT 2131/4885NPC1 3334/4885RAB9A 3532/4885
US-20070037791-A1 serine/threonine kinase inhibitors, useful for therapy and/or prophylaxis of cancers in mammals RAF1, CHEK1, BRAF MAPT 3710/4885NPC1 4211/4885RAB9A 1297/4885
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 MAPT 2131/4885NPC1 3334/4885RAB9A 3532/4885

“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.