SCHEMBL6167914

SCHEMBL6167914

CCOc1ccc2c(c1Br)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
S1PR1 P21453 1/20 0.34
TSHR P16473 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
SCHEMBL8217052 0.82 SLC6A4 (0.36) HPGDSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL6029996 0.82 PTGES (0.40) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
Ethane SCHEMBL6029074 0.81 PTGES (0.39) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL29660392 0.80 HTR2A (0.41) SMN1; SMN2ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6168691 0.80 HTR2A (0.41) SMN1; SMN2ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL6029078 0.80 PTPN11 (0.42) HPGDALDH1A1KDM4EPOLBHTT
SCHEMBL9158842 0.79 NOS3 (0.41) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11625102 0.77 ALDH1A1 (0.48) HPGDSMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL22102585 0.77 HTR2C (0.41) ALDH1A1KDM4EMAPTPOLBNPC1
SCHEMBL24575397 0.76 HTT (0.35) KDM4EMAPTCYP1A2HTTTSHR

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-6964965-B2 Substituted pyrazine derivatives PHARMACIA & UPJOHN (US) 2005-11-15 US disclosed
EP-1499599-A1 SUBSTITUTED PYRAZINE DERIVATIVES Pharmacia & Upjohn Company LLC (US) 2005-01-26 EP disclosed
US-20040053941-A1 Substituted pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2004-03-18 US disclosed
WO-2003091225-A1 SUBSTITUTED PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-11-06 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-20040053941-A1 Substituted pyrazine derivatives CRHR1, CRHR2, CRH HPGD 654/4885SMN1; SMN2 3239/4885ALDH1A1 749/4885

“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.