SCHEMBL4012242

SCHEMBL4012242

O=C(Nc1ccccc1Cl)c1cc(C(F)(F)F)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.48
NPY5R Q15761 7/20 0.47
RPA1 P27694 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ORAI1 Q96D31 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL13961975 0.82 RPA1 (0.48) NPY5RRPA1NPC1RAB9AMAPT
SCHEMBL4097251 0.80 RPA1 (0.60) RPA1SMN1; SMN2
SCHEMBL7318849 0.79 ORAI1 (0.69) NPC1RAB9AORAI1TP53MAPT
SCHEMBL13901607 0.75 CYP2C19 (0.41) RPA1NPC1RAB9AMAPTLMNA
SCHEMBL12326972 0.74 HPGD (0.56) NPC1RAB9ATP53MAPTLMNA
SCHEMBL13901649 0.72 TP53 (0.45) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL13901652 0.69 RIPK1 (0.47) NPY5RMAPTKCNJ6KCNJ5KCNJ3
SCHEMBL3975817 0.68 ALDH1A1 (0.72) CSF1RRPA1MAPTLMNASMN1; SMN2
SCHEMBL2425020 0.68 HPGD (0.47) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL7320259 0.67 ORAI1 (0.69) RAB9AORAI1TP53MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 CSF1R 544/4885NPY5R 4771/4885RPA1 3051/4885

“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.