SCHEMBL21972887

SCHEMBL21972887

Cc1cccc(C(=O)NCCNC(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ TP53BP1 Q12888 4/20 0.60
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ADRB2 P07550 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ ADRB3 P13945 1/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL14679371 0.84 NPC1 (0.57) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL19767696 0.84 TP53BP1 (0.67) NPC1RAB9ATP53BP1MEN1KMT2A
SCHEMBL14538231 0.83 NPC1 (0.66) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL22349844 0.81 TP53BP1 (0.85) NPC1RAB9ATP53BP1MEN1KMT2A
SCHEMBL1753828 0.81 L3MBTL1 (0.71) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL9492626 0.81 NPC1 (0.68) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL842631 0.81 NPC1 (0.68) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL22383273 0.80 NPC1 (0.67) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL21020967 0.80 HDAC8 (0.59) NPC1RAB9AMEN1KMT2AHDAC8
SCHEMBL11234425 0.80 RAB9A (0.66) NPC1RAB9AMEN1KMT2AHDAC8

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-11071788-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with antiB7H3-antibodies BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-07-27 — — US disclosed
US-10744205-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with anti-CD123-antibodies BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-08-18 — — US disclosed
US-20200138970-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTIB7H3-ANTIBODIES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 — — 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 (3 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-10744205-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with anti-CD123-antibodies KIF23, KIF2C, KIF18A NPC1 2483/4885RAB9A 1247/4885TP53BP1 3622/4885
US-11071788-B2 Antibody drug conjugates of kinesin spindel protein (KSP) inhibitors with antiB7H3-antibodies KIF23, KIF5B, KIF2C NPC1 3337/4885RAB9A 1566/4885TP53BP1 2505/4885
US-20200138970-A1 ANTIBODY DRUG CONJUGATES OF KINESIN SPINDEL PROTEIN (KSP) INHIBITORS WITH ANTIB7H3-ANTIBODIES KIF23, KIF5B, KIF2C NPC1 3337/4885RAB9A 1566/4885TP53BP1 2505/4885

“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.

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