SCHEMBL4816249

SCHEMBL4816249

CCCOc1ccc(Br)cc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
KDM4E B2RXH2 10/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
RAB9A P51151 2/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.48
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL12121221 0.91 KDM4E (0.52) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL7929527 0.90 HTT (0.56) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL257828 0.84 HPGD (0.53) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL7928370 0.84 HPGD (0.60) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL7931144 0.84 HTT (0.54) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL13642366 0.83 KMT2A (0.50) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL27717344 0.83 KMT2A (0.50) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL4573266 0.83 KDM4E (0.58) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL3182217 0.83 KDM4E (0.59) HPGDKDM4ETDP1KMT2AMEN1
SCHEMBL1778262 0.83 KDM4E (0.52) HPGDKDM4ETDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 US disclosed
US-7459567-B2 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2008-12-02 US disclosed
WO-2006088694-A1 SUBSTITUTED THIENYL AND FURYL ACYLGUANIDINES AS β-SECRETASE MODULATORS WYETH (US) 2006-08-24 WO disclosed
US-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators WYETH (US) 2006-08-17 US disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO 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-20060183792-A1 Substituted thienyl and furyl acylguanidines and methods of their use as beta-secretase modulators BACE1, BACE2, PSEN1 HPGD 1692/4885KDM4E 1194/4885TDP1 399/4885
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 HPGD 2381/4885KDM4E 611/4885TDP1 3687/4885

“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.