SCHEMBL2203544

SCHEMBL2203544

CCCC(Nc1cnc(Cl)cn1)c1cccc(NC(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ RORC P51449 2/20 0.39
▸ CSF1R P07333 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ DYRK3 O43781 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
SCHEMBL906091 0.84 CSF1R (0.56) TSHRHSD17B10CSF1RBRAF
SCHEMBL20862393 0.71 HSD17B10 (0.65) TSHRHSD17B10CYP3A4CYP2D6SLC6A2
SCHEMBL10648008 0.71 HSD17B10 (0.51) TSHRHSD17B10POLBALDH1A1NR4A1
SCHEMBL18286642 0.70 CSF1R (0.60) CSF1RBRAFFYN
SCHEMBL13260957 0.69 HSD17B10 (0.58) TSHRHSD17B10CYP3A4CYP2D6SLC6A2
SCHEMBL23980124 0.67 PTK2 (0.59) RAB9ASMN1; SMN2
SCHEMBL20862426 0.66 HSD17B10 (0.53) TSHRHSD17B10CYP3A4CYP2D6SLC6A2
SCHEMBL7877793 0.66 RAB9A (0.57) TSHRHSD17B10CYP3A4CYP2D6SLC6A2
SCHEMBL12056805 0.65 CSF1R (0.43) TSHRSLC6A3POLBRAB9ACSF1R
SCHEMBL10648781 0.65 LMNA (0.47) TSHRHSD17B10POLBALDH1A1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981900-B2 Modulation microtubules diseases; antiproliferative agents; antiinflamamtory agents YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-07-19 — — US disclosed
US-20080194583-A1 Tubulin Inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD 2008-08-14 — — 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-20080194583-A1 Tubulin Inhibitors TUBB1, TUBB3, TUBA1C TSHR 4204/4885HSD17B10 2544/4885CYP3A4 4395/4885

“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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