SCHEMBL4823372

SCHEMBL4823372

c1ccc(N2CCN(Cc3cc4ncccc4o3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GFER P55789 1/20 0.51
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ DRD4 P21917 5/20 0.47
▸ MAPT P10636 3/20 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
SCHEMBL4825010 0.89 DRD4 (0.48) KDM4ELMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL4823578 0.86 DRD4 (0.52) KDM4ELMNASMN1; SMN2ALDH1A1TP53
SCHEMBL4817067 0.83 KDM4E (0.52) KDM4ELMNAALDH1A1TP53HTR1A
SCHEMBL4825079 0.81 PARP1 (0.42) HTR2BHTR1ADRD4
SCHEMBL4818594 0.81 DRD4 (0.51) HTR1ADRD4DRD2
SCHEMBL4824115 0.80 ALDH1A1 (0.57) KDM4ELMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL4820489 0.80 HTR2B (0.39) HTR2BHTR1ADRD4DRD2
SCHEMBL4819167 0.79 DRD4 (0.57) KDM4EALDH1A1HTR1ADRD4MAPT
SCHEMBL7106423 0.78 HTR1A (0.48) KDM4ELMNAALDH1A1TP53HTR1A
SCHEMBL3605597 0.75 SIGMAR1 (0.76) KDM4ELMNANPSR1ALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 — — US claimed
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 — — US claimed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 — — US claimed
US-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 — — US claimed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 — — US claimed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 — — US claimed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 — — WO claimed
US-7470691-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-12-30 — — US disclosed
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction ABBVIE INC. 2007-11-15 — — US disclosed
US-7235661-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2007-06-26 — — US disclosed
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2006-08-03 — — US disclosed
US-7057042-B2 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2006-06-06 — — US disclosed
US-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction ABBVIE INC. 2004-04-01 — — US disclosed
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction WEINSTOCK, STEVEN F. 2004-01-01 — — US disclosed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 — — 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 (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-20040063713-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 KDM4E 3657/4885LMNA 4670/4885NPSR1 532/4885
US-20070265249-A1 Fused Bicyclic Aromatic Compounds that are Useful in Treating Sexual Dysfunction CYP19A1, CYP17A1, HSD17B11 KDM4E 2778/4885LMNA 2277/4885NPSR1 640/4885
US-20060172995-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, DDC KDM4E 2026/4885LMNA 3391/4885NPSR1 675/4885
US-20040002488-A1 Fused bicyclic aromatic compounds that are useful in treating sexual dysfunction CYP19A1, CYP17A1, HSD17B11 KDM4E 3657/4885LMNA 4670/4885NPSR1 532/4885

“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.

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