SCHEMBL4431508

SCHEMBL4431508

N#CC1C=Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ALDH1A1 P00352 6/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MGLL Q99685 2/20 0.43
▸ HTT P42858 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ VCAM1 P19320 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ SLC6A9 P48067 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ MAOB P27338 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35

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
SCHEMBL4429170 0.86 LMNA (0.67) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4422567 0.82 LMNA (0.79) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9369551 0.82 SMN1; SMN2 (0.58) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9366963 0.82 ALDH1A1 (0.67) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8345917 0.80 LMNA (0.78) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9365789 0.79 KMT2A (0.72) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9366700 0.76 MEN1 (0.52) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4429146 0.76 LMNA (0.65) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4418569 0.71 MEN1 (0.51) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9365765 0.70 LMNA (0.44) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553967-B2 1,2-Dihydroquinoline derivatives and method for using the same to treat HIV infections WYETH (US) 2009-06-30 — — US claimed
US-20050203129-A1 1, 2-Dihydroquinoline derivatives and method for using the same to treat HIV infections WYETH 2005-09-15 — — US claimed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 — — WO claimed
US-7553967-B2 1,2-Dihydroquinoline derivatives and method for using the same to treat HIV infections WYETH (US) 2009-06-30 — — US disclosed
WO-2005090309-A1 1,2-DIHYDROQUINOLINE DERIVATIVES AND METHOD FOR USING THE SAME TO TREAT HIV INFECTION WYETH (US) 2005-09-29 — — WO disclosed
US-20050203129-A1 1, 2-Dihydroquinoline derivatives and method for using the same to treat HIV infections WYETH 2005-09-15 — — US 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 (1 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-20050203129-A1 1, 2-Dihydroquinoline derivatives and method for using the same to treat HIV infections CBR3, CBR1, NR1H3 LMNA 4140/4885SMN1; SMN2 4136/4885ALDH1A1 924/4885

“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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