SCHEMBL6841201

SCHEMBL6841201

S=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(NC(=S)Nc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
ALOX12 P18054 5/20 0.55
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 5/20 0.49
GPR55 Q9Y2T6 1/20 0.47
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.43
EPHX1 P07099 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6841756 0.84 MAOB (0.54) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL6841445 0.78 MAOB (0.47) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL7098462 0.73 MAOB (0.61) ALDH1A1ALOX12MAPTNPSR1KMT2A
SCHEMBL6578291 0.72 ALDH1A1 (0.80) ALDH1A1ALOX12MAPTNPSR1KMT2A
SCHEMBL7028772 0.70 KMT2A (0.77) ALDH1A1ALOX12MAPTNPSR1KMT2A
SCHEMBL5450335 0.69 ALDH1A1 (0.57) ALDH1A1ALOX12MAPTNPSR1KMT2A
SCHEMBL6944649 0.68 MAOB (0.48) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL6812366 0.68 KMT2A (0.58) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL15484146 0.68 IDO1 (0.75) ALDH1A1MAPTNPSR1KMT2AMEN1
SCHEMBL16621130 0.68 BRAF (0.60) ALDH1A1MAPTKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US claimed
EP-1360173-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2003-11-12 EP claimed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 US claimed
WO-2002059080-A2 TRISUBSTITUTED CARBOCYCLIC CYCLOPHILIN BINDING COMPOUNDS AND THEIR USE GUILFORD PHARMACEUTICALS INC. (US) 2002-08-01 WO claimed
US-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use WU YONG-QIAN (US) 2004-08-12 US disclosed
US-6656971-B2 Non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilins; inhibiting their peptidyl-prolyl isomerase activity; treating variety of medical conditions GUILFORD PHARMACEUTICALS INC. 2003-12-02 US disclosed
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use GUILFORD PHARMACEUTICALS INC. 2002-11-07 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-20040157919-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 ALDH1A1 2070/4885ALOX12 1821/4885MAPT 1908/4885
US-20020165275-A1 Trisubstituted carbocyclic cyclophilin binding compounds and their use FKBP2, PPIG, FKBP8 ALDH1A1 2070/4885ALOX12 1821/4885MAPT 1908/4885

“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.