SCHEMBL3636432

SCHEMBL3636432

CCCc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C(=O)OC[C@H](C)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PTPRB P23467 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ CA12 O43570 1/20 0.38

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
SCHEMBL3636191 0.92 LMNA (0.42) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3631395 0.91 MMP8 (0.42) LMNAMEN1KMT2AHTR2AHTR2C
SCHEMBL3631393 0.91 MMP8 (0.42) LMNAMEN1KMT2AHTR2AHTR2C
SCHEMBL3634554 0.90 ALOX15 (0.43) LMNAMEN1KMT2AHTR2AALDH1A1
SCHEMBL3635250 0.89 LMNA (0.51) LMNAMEN1KMT2AALDH1A1CNR2
SCHEMBL3636260 0.88 HTT (0.43) LMNAMEN1KMT2AHTR2AHTR2C
SCHEMBL3635829 0.87 LMNA (0.44) LMNAMEN1KMT2AHTR2AHTR2C
SCHEMBL3631273 0.85 LMNA (0.46) LMNAHTR2AHTR2CUBE2MDCUN1D1
SCHEMBL3740359 0.84 SMN1; SMN2 (0.40) LMNAMEN1KMT2AHTR2AHTR2C
SCHEMBL3631836 0.83 HTR2A (0.45) MEN1KMT2AHTR2AHTR2CUBE2M

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — US claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 — — 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 (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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 LMNA 3040/4885MEN1 2707/4885KMT2A 4004/4885

“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.

Send feedback