SCHEMBL12376672

SCHEMBL12376672

CC(C)(C)NC(=O)COc1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
TSHR P16473 1/20 0.59
RAB9A P51151 7/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 2/20 0.57
NPC1 O15118 6/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
SENP2 Q9HC62 1/20 0.56
SENP1 Q9P0U3 1/20 0.56
TP53 P04637 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL29952425 0.83 POLB (0.52) HPGDTSHRRAB9AMEN1KMT2A
SCHEMBL8426765 0.82 HPGD (0.64) HPGDTSHRRAB9AMEN1KMT2A
SCHEMBL6646837 0.81 NPC1 (0.52) HPGDTSHRRAB9AMEN1KMT2A
SCHEMBL20235215 0.80 NPC1 (0.58) HPGDRAB9AKMT2APOLBSMN1; SMN2
SCHEMBL13115728 0.79 TSHR (0.69) HPGDTSHRRAB9AMEN1KMT2A
SCHEMBL29951938 0.79 PTGDR2 (0.60) HPGDRAB9AMEN1KMT2APOLB
SCHEMBL20235217 0.79 NPC1 (0.63) HPGDTSHRRAB9APOLBSMN1; SMN2
SCHEMBL4936220 0.79 RAB9A (0.63) HPGDTSHRRAB9AMEN1KMT2A
SCHEMBL9576840 0.79 ALDH1A1 (0.60) HPGDTSHRRAB9AMEN1KMT2A
SCHEMBL8247489 0.78 KMT2A (0.74) HPGDTSHRRAB9AMEN1KMT2A

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-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (4 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HPGD 1640/4885TSHR 287/4885RAB9A 2056/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 HPGD 842/4885TSHR 638/4885RAB9A 2498/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK HPGD 1144/4885TSHR 637/4885RAB9A 2234/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 HPGD 842/4885TSHR 638/4885RAB9A 2498/4885

“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.