SCHEMBL2388044

SCHEMBL2388044

Cc1onc(-c2ccc(N)cc2)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.50
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
USP2 O75604 1/20 0.47
PHGDH O43175 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
SCHEMBL1226271 0.92 ALDH1A1 (0.54) ALDH1A1MAPTLMNASMN1; SMN2HTT
Nucleozin SCHEMBL29360670 0.91 NPC1 (0.61) ALDH1A1MAPTLMNASMN1; SMN2HTT
Nucleozin SCHEMBL1225006 0.91 NPC1 (0.61) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL12312892 0.87 ALDH1A1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL16086860 0.87 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL12263824 0.86 ALDH1A1 (0.47) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL899837 0.86 TSHR (0.56) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL899570 0.85 LMNA (0.67) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL12691832 0.83 NPC1 (0.63) ALDH1A1LMNASMN1; SMN2HTTKDM4E
SCHEMBL10082093 0.83 LMNA (0.57) ALDH1A1MAPTLMNASMN1; SMN2HTT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212177-B2 Antiviral compounds and methods of making and using thereof VERSITECH LIMITED (HK) 2015-12-15 US claimed
EP-2462138-B1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING VERSITECH LTD (CN) 2014-09-24 EP claimed
CN-102596946-A Antiviral compounds and methods of making and using same UNIV HONG KONG VERSITECH LTD 2012-07-18 CN claimed
US-20120149715-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS VERSITECH LIMITED (HK) 2012-06-14 US claimed
US-20110212975-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG 2011-09-01 US claimed
US-9212177-B2 Antiviral compounds and methods of making and using thereof VERSITECH LIMITED (HK) 2015-12-15 US disclosed
US-9212177-B2 Antiviral compounds and methods of making and using thereof VERSITECH LIMITED (HK) 2015-12-15 US disclosed
US-9212177-B2 Antiviral compounds and methods of making and using thereof VERSITECH LIMITED (HK) 2015-12-15 US disclosed
EP-2462138-B1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING VERSITECH LTD (CN) 2014-09-24 EP disclosed
US-20130325429-A1 Compounds and Methods for the Treatment of Viral Infections THE UNIVERSITY OF HONG KONG 2013-12-05 US disclosed
CN-102596946-A Antiviral compounds and methods of making and using same UNIV HONG KONG VERSITECH LTD 2012-07-18 CN disclosed
US-20120149715-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS VERSITECH LIMITED (HK) 2012-06-14 US disclosed
US-20120142701-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES THE UNIVERSITY OF HONG KONG 2012-06-07 US disclosed
US-20110212975-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG 2011-09-01 US disclosed
US-20110212975-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG 2011-09-01 US disclosed
WO-2011015037-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THERE OF CROSS REFERENCE TO RELATED APPLICATIONS THE UNIVERSITY OF HONGKONG (CN) 2011-02-10 WO 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-20120149715-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, SNRPE, HDLBP ALDH1A1 4452/4885MAPT 3962/4885LMNA 1799/4885
US-20120142701-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES PCNA, MKI67, TP53 ALDH1A1 3429/4885MAPT 1490/4885LMNA 1009/4885
US-20110212975-A1 ANTIVIRAL COMPOUNDS AND METHODS OF MAKING AND USING THEREOF VIP, H1-3, MAVS ALDH1A1 2085/4885MAPT 4609/4885LMNA 412/4885

“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.