SCHEMBL6729950

SCHEMBL6729950

O=C(Oc1ncc(-c2ccncc2)cn1)N1CCN(S(=O)(=O)N2CCc3c(Cl)cccc3C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
AKR1C1 Q04828 1/20 0.36
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPA1 O75762 2/20 0.34
CHRM1 P11229 2/20 0.34
FNTA P49354 3/20 0.34
FNTB P49356 3/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CYP11B1 P15538 1/20 0.33
CNR1 P21554 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
SCHEMBL6737202 0.82 AKR1C3 (0.48) AKR1C3AKR1C2LMNASMN1; SMN2MEN1
SCHEMBL6737705 0.81 ALDH1A1 (0.37) AKR1C3LMNASMN1; SMN2CPT2CPT1A
SCHEMBL6734044 0.76 LMNA (0.42) AKR1C3AKR1C2LMNASMN1; SMN2CPT2
SCHEMBL6730955 0.75 TRPA1 (0.35) AKR1C3AKR1C2CPT2CPT1ATRPA1
SCHEMBL6725627 0.74 CYP11B2 (0.36) FNTAFNTBMAPTCYP11B1
SCHEMBL6726423 0.71 MAPT (0.37) AKR1C3LMNASMN1; SMN2AKR1C1POLB
SCHEMBL6731711 0.70 LMNA (0.41) AKR1C3AKR1C2LMNASMN1; SMN2CPT2
SCHEMBL6730410 0.69 AKR1C3 (0.46) AKR1C3AKR1C2LMNASMN1; SMN2MEN1
SCHEMBL6726196 0.69 F10 (0.41) SMN1; SMN2MEN1POLBKMT2ACHRM1
SCHEMBL6730820 0.69 ALDH1A1 (0.38) LMNASMN1; SMN2MEN1POLBKMT2A

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 AKR1C3 1221/4885AKR1C2 1456/4885LMNA 1760/4885

“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.