SCHEMBL5385338

SCHEMBL5385338

COc1cccc(C=CC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
MAPT P10636 3/20 0.55
AR P10275 1/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NTSR1 P30989 1/20 0.51
NFE2L2 Q16236 4/20 0.50
TFEB P19484 1/20 0.50
NPC1 O15118 1/20 0.49
BCHE P06276 1/20 0.49
RAB9A P51151 1/20 0.49
PRMT1 Q99873 1/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.47
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL5385330 1.00 KDM4E (0.59) KDM4EMAPTARGAALMNA
SCHEMBL3823067 0.87 AR (0.52) KDM4EMAPTARGAALMNA
SCHEMBL5613611 0.83 MAPT (0.49) KDM4EMAPTGAALMNATDP1
SCHEMBL28009577 0.83 MAPT (0.49) KDM4EMAPTGAALMNATDP1
SCHEMBL10341377 0.82 MAPT (0.58) KDM4EMAPTTDP1ALDH1A1NPC1
SCHEMBL10613251 0.82 MAPT (0.58) KDM4EMAPTTDP1ALDH1A1NPC1
SCHEMBL2112646 0.81 NFE2L2 (0.63) ARGAATDP1ALDH1A1NFE2L2
SCHEMBL3247450 0.81 NFE2L2 (0.63) ARGAATDP1ALDH1A1NFE2L2
SCHEMBL1174499 0.80 MAPT (0.73) KDM4EMAPTLMNAALDH1A1NPC1
SCHEMBL10466720 0.80 PRMT1 (0.72) MAPTARGAALMNATDP1

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-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE46791-E1 Substituted dihydroquinazolines AICURIS ANTI-INFECTIVE CURES GMBH (DE) 2018-04-17 US disclosed
US-8513255-B2 Substituted dihydroquinazolines AiCuris GmbH + Co. KG. (DE) 2013-08-20 US disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8314113-B2 Substituted dihydroquinazolines II AICURIS GMBH & CO. KG (DE) 2012-11-20 US disclosed
US-20070281953-A1 Substituted Dihydroquinazolines II BAYER HEALTHCARE AG (DE) 2007-12-06 US disclosed
US-20070191387-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-08-16 US disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
US-7196086-B2 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2007-03-27 US disclosed
US-20050065160-A1 Substituted dihydroquinazolines BAYER HEALTHCARE AG (DE) 2005-03-24 US disclosed
EP-0628311-B1 Xanthine-Derivatives as Antidepressants KYOWA HAKKO KOGYO KK (JP) 2002-04-24 EP disclosed
US-5587378-A ADMINISTERING A SUBSTITUTED XANTHINE COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-12-24 US disclosed
US-5543415-A ADMINISTERING A XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-08-06 US disclosed
US-5484920-A XANTHINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-01-16 US disclosed
EP-0628311-A1 ANTIDEPRESSANT KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-12-14 EP disclosed
EP-0590919-A1 Therapeutic agents for parkinson's disease KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-04-06 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-20050065160-A1 Substituted dihydroquinazolines TPMT, TYMP, DPYD KDM4E 3034/4885MAPT 1906/4885AR 4866/4885
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents TYMP, RPL35, EIF2AK2 KDM4E 2609/4885MAPT 2799/4885AR 4881/4885
US-20070281953-A1 Substituted Dihydroquinazolines II EIF2AK2, QDPR, IRF3 KDM4E 2391/4885MAPT 2707/4885AR 4821/4885
US-20070191387-A1 Substituted dihydroquinazolines TPMT, TYMP, DPYD KDM4E 3034/4885MAPT 1906/4885AR 4866/4885

“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.