SCHEMBL7214641

SCHEMBL7214641

O=C(O)C1Cc2c(cccc2[N+](=O)[O-])C1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NR4A1 P22736 1/20 0.40
GPR35 Q9HC97 2/20 0.39
TDP1 Q9NUW8 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
GRK2 P25098 1/20 0.36

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
SCHEMBL1082454 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL1470648 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL7213660 0.74 CHRNB2 (0.45) ALDH1A1TDP1L3MBTL1TSHR
SCHEMBL7220671 0.71 NR4A1 (0.41) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11098511 0.70 KMT2A (0.48) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL11098513 0.70 KMT2A (0.48) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL6780957 0.70 GPR35 (0.51) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL6780953 0.70 GPR35 (0.51) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL14017372 0.69 TDP1 (0.44) ALDH1A1MEN1KMT2AMAPTNR4A1
SCHEMBL1080845 0.69 TDP1 (0.44) ALDH1A1MEN1KMT2AMAPTNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552044-B2 Dopamine receptors H. LUNDBECK A/S (DK) 2003-04-22 US disclosed
EP-0946542-B1 INDANE OR DIHYDROINDOLE DERIVATIVES LUNDBECK & CO AS H (DK) 2002-10-09 EP disclosed
US-6352988-B2 HIGH AFFINITY FOR D4 RECEPTORS; TREATMENT OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, DEPRESSION, ALCOHOL ABUSE, IMPULSE CONTROL DISORDERS, AGGRESSION H. LUNDBECK A/S (DK) 2002-03-05 US disclosed
US-20010021777-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-13 US disclosed
US-20010020095-A1 Indane or dihydroindole derivatives H. LUNDBECK A/S (DK) 2001-09-06 US disclosed
US-6262087-B1 HAVE HIGH AFFINITY FOR D4 RECEPTORS; USEFUL IN THE TREATMENT OF CERTAIN PSYCHIATRIC AND NEUROLOGIC DISORDERS, INCLUDING PSYCHOSIS, DEPRESSION AND ANXIETY. H. LUNDBECK A/S (DK) 2001-07-17 US disclosed
EP-0946542-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H. LUNDBECK A/S (DK) 1999-10-06 EP disclosed
WO-1998028293-A1 INDANE OR DIHYDROINDOLE DERIVATIVES H.LUNDBECK A/S (DK) 1998-07-02 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 (2 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-20010020095-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ALDH1A1 289/4885MEN1 1916/4885KMT2A 2394/4885
US-20010021777-A1 Indane or dihydroindole derivatives HTR4, GPR4, GPR174 ALDH1A1 289/4885MEN1 1916/4885KMT2A 2394/4885

“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.