SCHEMBL19104774

SCHEMBL19104774

O=C(c1ccncc1)C(Br)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.51
▸ GPR52 Q9Y2T5 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ PLOD2 O00469 1/20 0.45
▸ PLOD3 O60568 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PLOD1 Q02809 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ANPEP P15144 1/20 0.42
▸ ERAP2 Q6P179 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42

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
SCHEMBL11083245 0.89 MDM2 (0.52) RAB9ATDP1HPGDMEN1KMT2A
SCHEMBL27758940 0.78 MMP12 (0.47) RAB9AALDH1A1LMNAANPEPERAP2
SCHEMBL1303851 0.78 NPC1 (0.60) RAB9AGPR52CYP1A2ALDH1A1MEN1
SCHEMBL5870056 0.76 CNR2 (0.49) RAB9ACYP1A2HPGDMEN1KMT2A
SCHEMBL6248066 0.76 CNR2 (0.49) RAB9ACYP1A2HPGDMEN1KMT2A
SCHEMBL4061138 0.76 CNR2 (0.49) RAB9ACYP1A2HPGDMEN1KMT2A
SCHEMBL11085580 0.75 METAP2 (0.52) RAB9AALDH1A1CYP2C19MEN1KMT2A
SCHEMBL19104773 0.73 SMN1; SMN2 (0.45) GPR52CYP1A2CYP3A4PLOD2PLOD3
SCHEMBL8472563 0.73 ERAP1 (0.49) RAB9AHPGDMEN1KMT2ALMNA
SCHEMBL7437317 0.72 ALDH1A1 (0.50) TDP1ALDH1A1KMT2ALMNAMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2020-04-28 — — US disclosed
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2019-09-10 — — US disclosed
US-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease OHIO UNIVERSITY (US) 2019-08-27 — — US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 — — US disclosed
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling OHIO UNIVERSITY (US) 2018-07-17 — — US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 — — US disclosed
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING OHIO UNIVERSITY (US) 2017-07-27 — — US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 — — US disclosed
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY OHIO UNIVERSITY (US) 2017-07-20 — — US disclosed
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 — — US disclosed
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OHIO UNIVERSITY (US) 2017-07-13 — — 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 (7 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-10392381-B2 Prevention and treatment of non-alcoholic fatty liver disease FABP1, LIPC, SLC10A1 RAB9A 2970/4885GPR52 1829/4885TDP1 3862/4885
US-10407420-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 RAB9A 2968/4885GPR52 823/4885TDP1 4341/4885
US-20170196845-A1 PREVENTION AND TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE FABP1, LIPC, SLC10A1 RAB9A 2970/4885GPR52 1829/4885TDP1 3862/4885
US-10633377-B2 Imidazole and thiazole compositions for modifying biological signaling TYRO3, FGFR1, STAT6 RAB9A 2983/4885GPR52 832/4885TDP1 4338/4885
US-20170210737-A1 IMIDAZOLE AND THIAZOLE COMPOSITIONS FOR MODIFYING BIOLOGICAL SIGNALING FGFR1, TYRO3, STAT6 RAB9A 3095/4885GPR52 580/4885TDP1 4360/4885
US-10023567-B2 Imidazole and thiazole compositions for modifying biological signaling FGFR1, TYRO3, STAT6 RAB9A 3095/4885GPR52 580/4885TDP1 4360/4885
US-20170202818-A1 METHODS AND COMPOSITIONS TO MODIFY GSK-3 ACTIVITY GSK3B, GSK3A, GSKIP RAB9A 2018/4885GPR52 4469/4885TDP1 1765/4885

“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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