SCHEMBL6940180

SCHEMBL6940180

O=C(Nc1ccccn1)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
NPC1 O15118 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
F2 P00734 1/20 0.66
DEGS1 O15121 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CHRNB2 P17787 1/20 0.63
CHRNB4 P30926 1/20 0.63
CHRNA3 P32297 1/20 0.63
CHRNA4 P43681 1/20 0.63
PKM P14618 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.62
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
GRM5 P41594 1/20 0.61
LMNA P02545 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL997866 0.90 RAB9A (0.89) RAB9ANPC1MEN1KMT2AF2
SCHEMBL29366822 0.90 RAB9A (0.89) RAB9ANPC1MEN1KMT2AF2
SCHEMBL16583895 0.88 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
Hydrochloric Acid SCHEMBL27681799 0.88 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL7189774 0.88 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
SCHEMBL29611667 0.86 RAB9A (0.76) RAB9ANPC1MEN1KMT2AF2
SCHEMBL10978860 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2
Benzoic Acid SCHEMBL8529424 0.85 RAB9A (0.80) RAB9ANPC1MEN1KMT2AF2
SCHEMBL22636483 0.85 RAB9A (0.80) RAB9ANPC1MEN1KMT2AF2
SCHEMBL5011704 0.85 RAB9A (0.86) RAB9ANPC1MEN1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030138376-A1 Dosing form for reagents, use of said dosing form in organic chemical synthesis and production of said dosing form H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
EP-1268051-A2 DOSING FORM FOR REAGENTS, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND PRODUCTION OF SAID DOSING FORM H. Lundbeck A/S (DK) 2003-01-02 EP disclosed
WO-2001068599-A2 DOSING FORM FOR REAGENTS, USE OF SAID DOSING FORM IN ORGANIC CHEMICAL SYNTHESIS AND PRODUCTION OF SAID DOSING FORM H. LUNDBECK A/S (DK) 2001-09-20 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 (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-20030138376-A1 Dosing form for reagents, use of said dosing form in organic chemical synthesis and production of said dosing form ATIC, SET, SORD RAB9A 4287/4885NPC1 3888/4885MEN1 349/4885

“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.