SCHEMBL3262199

SCHEMBL3262199

CCCCCN1Cc2ccccc2N=C1SC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 3/20 0.37
HTT P42858 1/20 0.36
EEF2K O00418 1/20 0.35
CCR3 P51677 1/20 0.35
ACHE P22303 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 2/20 0.33
MPO P05164 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC9A1 P19634 1/20 0.33

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
SCHEMBL10526204 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL3197285 0.71 GRIN2B (0.41) ALDH1A1CYP1A2CYP2C19SIGMAR1MEN1
SCHEMBL3208097 0.71 USP2 (0.37) ALDH1A1SIGMAR1CCR3MEN1KMT2A
SCHEMBL9541511 0.70 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL5139855 0.69 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL29687292 0.69 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL424020 0.68 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2D6CYP2C19HTT
SCHEMBL9538960 0.66 SIGMAR1 (0.41) ALDH1A1SIGMAR1CCR3ACHEMEN1
SCHEMBL5449154 0.66 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C19SIGMAR1
SCHEMBL29532002 0.66 DRD2 (0.60) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US claimed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US claimed
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885CYP1A2 707/4885CYP2D6 549/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C ALDH1A1 1897/4885CYP1A2 707/4885CYP2D6 549/4885

“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.