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Sugi Predict / Compounds / SCHEMBL1000359

SCHEMBL1000359

SCHEMBL1000359

CC[C@]1(C(=O)O)C[C@H]1c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.51
▸ RCOR1 Q9UKL0 4/20 0.51
▸ LIG1 P18858 1/20 0.41
▸ MAOA P21397 6/20 0.37
▸ MAOB P27338 6/20 0.37
▸ GUSB P08236 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL15766917 1.00 KDM1A (0.51) KDM1ARCOR1LIG1MAOAMAOB
SCHEMBL15766918 1.00 KDM1A (0.51) KDM1ARCOR1LIG1MAOAMAOB
SCHEMBL1943935 0.85 KDM1A (0.51) KDM1AMAOAMAOBGAASMN1; SMN2
SCHEMBL15767640 0.85 KDM1A (0.51) KDM1AMAOAMAOBGAASMN1; SMN2
SCHEMBL11700667 0.85 KDM1A (0.51) KDM1AMAOAMAOBGAASMN1; SMN2
SCHEMBL7077980 0.84 KDM1A (0.51) KDM1ARCOR1LIG1MAOAMAOB
SCHEMBL3739337 0.84 KDM1A (0.40) KDM1ARCOR1MAOAMAOBLMNA
SCHEMBL31752128 0.83 KDM1A (0.43) KDM1ARCOR1LIG1GUSBMEN1
SCHEMBL15767761 0.82 KDM1A (0.47) KDM1ARCOR1LIG1GUSBMEN1
SCHEMBL15767760 0.82 KDM1A (0.47) KDM1ARCOR1LIG1GUSBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045467-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2015-06-02 — — US disclosed
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 — — US disclosed
US-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8664253-B2 Imidazole derivatives useful as modulators of FAAH and as FAAH imaging agents MERCK SHARP & DOHME CORP (US) 2014-03-04 — — US disclosed
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 — — US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 — — 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-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 KDM1A 918/4885RCOR1 2334/4885LIG1 4111/4885
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 KDM1A 918/4885RCOR1 2334/4885LIG1 4111/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 KDM1A 1013/4885RCOR1 2865/4885LIG1 4002/4885

“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.