SCHEMBL3594399

SCHEMBL3594399

N=C(NO)c1ccc2c(c1)oc1cc(C(=N)NO)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
TTR P02766 4/20 0.38
HTR2B P41595 1/20 0.37
PRMT1 Q99873 2/20 0.35
AHR P35869 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ROCK2 O75116 2/20 0.33
IDO1 P14902 2/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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 SCHEMBL7761967 0.98 KDM4E (0.42) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3066191 0.91 TTR (0.50) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL548257 0.84 IDO1 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2TTR
Hydrochloric Acid SCHEMBL7765649 0.82 IDO1 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2TTR
SCHEMBL549244 0.78 ROCK2 (0.40) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3080305 0.77 MEN1 (0.56) MAPTLMNASMN1; SMN2HTTMEN1
Hydrochloric Acid SCHEMBL7765592 0.77 ROCK2 (0.40) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL12348359 0.75 PRMT1 (0.58) KDM4EALDH1A1MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7766605 0.73 PRMT1 (0.56) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5305198 0.73 PRMT7 (0.37) KDM4EALDH1A1HSD17B10HTTTTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms BORISY ALEXIS 2007-05-03 US claimed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US claimed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO claimed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US claimed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US claimed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7994225-B2 Combination of an antibiotic and a drug such as pentamidine or salts thereof to treat drug resistant eye and ear infections REMPEX PHARMACEUTICALS, INC. (US) 2011-08-09 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-7947741-B2 Use and administration of bacterial efflux pump inhibitors MPEX PHARMACEUTICALS, INC. (US) 2011-05-24 US disclosed
US-20100120818-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-05-13 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS SILICON VALLEY BANK 2008-06-05 US disclosed
US-20050137185-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INCORPORATED 2005-06-23 US disclosed
US-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2005-04-14 US disclosed
WO-2005020913-A2 FORMULATIONS, CONJUGATES, AND COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-03-10 WO disclosed
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms COMINATORX, INCORPORATED 2005-03-10 US disclosed
WO-2005011572-A2 COMBINATION OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2005-02-10 WO disclosed
US-20040116407-A1 Combinations of drugs for the treatment of neoplasms COMBINATORX, INC. 2004-06-17 US disclosed
WO-2004006842-A2 COMBINATIONS OF DRUGS FOR THE TREATMENT OF NEOPLASMS COMBINATORX, INCORPORATED (US) 2004-01-22 WO disclosed
WO-2004002430-A2 COMBINATIONS FOR THE TREATMENT OF FUNGAL INFECTIONS COMBINATORX INCORPORATED (US) 2004-01-08 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 (6 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-20050080075-A1 Formulations, conjugates, and combinations of drugs for the treatment of neoplasms ABCB1, SLCO1B3, SLCO1B1 KDM4E 2098/4885ALDH1A1 571/4885MAPT 790/4885
US-20050137185-A1 Combinations of drugs for the treatment of neoplasms MKI67, DHFR, IL5 KDM4E 3098/4885ALDH1A1 412/4885MAPT 4832/4885
US-20070099905-A1 Combinations of drugs for the treatment of neoplasms VHL, NRAS, MYC KDM4E 3522/4885ALDH1A1 662/4885MAPT 4349/4885
US-20080132457-A1 BACTERIAL EFFLUX PUMP INHIBITORS FOR THE TREATMENT OF OPHTHALMIC AND OTIC INFECTIONS ABCB11, SLC47A2, SLC47A1 KDM4E 4467/4885ALDH1A1 1579/4885MAPT 3910/4885
US-20050054708-A1 Combinations of drugs for the treatment of neoplasms TYMP, DPYD, DHFR KDM4E 3350/4885ALDH1A1 1543/4885MAPT 4795/4885
US-20100120818-A1 SUBSTITUTED TETRAHYDROPYRROLOQUINOLINES TPD52L2, CCNT1, IDH2 KDM4E 1640/4885ALDH1A1 794/4885MAPT 3356/4885

“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.