SCHEMBL40329

SCHEMBL40329

O=C(Cl)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNMA1 Q12791 1/20 0.47
P2RX1 P51575 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2204732 0.85 HPGD (0.57) ALDH1A1TSHRMAPK1SMN1; SMN2POLB
SCHEMBL79163 0.85 DTYMK (0.62) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL990659 0.84 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL3998362 0.84 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL1138798 0.84 DTYMK (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL6154642 0.84 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL6397440 0.84 DTYMK (0.60) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL339922 0.84 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL6395556 0.84 ALDH1A1 (0.57) ALDH1A1TSHRMAPK1SMN1; SMN2KMT2A
SCHEMBL9193556 0.83 DTYMK (0.46) ALDH1A1TSHRMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241378-A Synthesis method of chloroprocaine hydrochloride intermediate impurity 南京斯泰尔医药科技有限公司 2025-01-03 CN claimed
US-10189804-B2 Method for producing dicarboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-01-29 US claimed
US-20180148424-A1 METHOD FOR PRODUCING DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-05-31 US claimed
EP-3287448-A1 METHOD FOR PRODUCING DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-02-28 EP claimed
CN-101747300-B Mutual prodrug and preparation method based on paclitaxel and nitrogen mustard UNIV SHANGHAI 2012-11-07 CN claimed
CN-101747300-A Mutual prodrug and preparation method based on paclitaxel and nitrogen mustard UNIV SHANGHAI 2010-06-23 CN claimed
CN-119241378-A Synthesis method of chloroprocaine hydrochloride intermediate impurity 南京斯泰尔医药科技有限公司 2025-01-03 CN disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
CN-110894196-A Lactam-containing compounds and derivatives thereof as factor Xa inhibitors 百时美-施贵宝控股爱尔兰无限公司 2020-03-20 CN disclosed
US-10189804-B2 Method for producing dicarboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-01-29 US disclosed
US-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-08-30 US disclosed
US-20180148424-A1 METHOD FOR PRODUCING DICARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-05-31 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
EP-0261503-A1 Heterocyclic amido derivatives of substituted benzoic acids and therapeutic compositions which contain them as active principle VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1988-03-30 EP disclosed
EP-0216028-A2 Use of anthranilic-acid derivatives as anthelmintic medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-01 EP disclosed
EP-0086340-B1 3-(1H-TETRAZOL-5-YL)-4(3H)-QUINAZOLINONES THE DOW CHEMICAL COMPANY (US) 1986-04-02 EP disclosed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US disclosed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP disclosed
US-4419357-A 3-(1H-Tetrazol-5-yl)-4(3H)-quinazolinones THE DOW CHEMICAL COMPANY (US) 1983-12-06 US disclosed
EP-0086340-A1 3-(1H-tetrazol-5-yl)-4(3H)-quinazolinones THE DOW CHEMICAL COMPANY (US) 1983-08-24 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 (4 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-20180244673-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885TSHR 3713/4885MAPK1 2648/4885
US-10189804-B2 Method for producing dicarboxylic acid compound PC, CPS1, PCCA ALDH1A1 294/4885TSHR 3294/4885MAPK1 4122/4885
US-20180148424-A1 METHOD FOR PRODUCING DICARBOXYLIC ACID COMPOUND PC, CPS1, PCCA ALDH1A1 294/4885TSHR 3294/4885MAPK1 4122/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885TSHR 3581/4885MAPK1 2715/4885

“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.